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Chemical ID: 5758021
Chemical ID:
5758021
Name [?]:
N,N-diethyl-4-methyl-pent-4-en-2-yn-1-amine
SMILES [?]:
CCN(CC)CC#CC(=C)C
InChi [?]:
InChI=1/C10H17N/c1-5-11(6-2)9-7-8-10(3)4/h3,5-6,9H2,1-2,4H3
InChi Info:
AuxInfo=1/0/N:1,5,10,11,2,4,7,8,6,9,3/E:(1,2)(5,6)/rA:11nCCNCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;t7;s8;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17N |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.65286 |
Area: | 351.392 |
Solvation: | -1.13195 |
Coulombic: | -6.68018 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 151.249 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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