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Chemical ID: 5521743
Chemical ID:
5521743
Name [?]:
3-cyclopentyl-1,1-diethyl-urea
SMILES [?]:
CCN(CC)C(=O)NC1CCCC1
InChi [?]:
InChI=1/C10H20N2O/c1-3-12(4-2)10(13)11-9-7-5-6-8-9/h9H,3-8H2,1-2H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,11,12,10,13,9,6,8,3,7/E:(1,2)(3,4)(5,6)(7,8)/rA:13nCCNCCCONCCCCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;s10;s11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03451 |
Area: | 375.316 |
Solvation: | -1.34838 |
Coulombic: | -31.0465 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 184.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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