Chemical ID: 4948374

CC(C)CN(CC(C)C)N=O
Chemical ID:
4948374
Name [?]:
N-isobutyl-2-methyl-N-nitroso-propan-1-amine
SMILES [?]:
CC(C)CN(CC(C)C)N=O
InChi [?]:
InChI=1/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,4,6,2,7,10,5,11/E:(1,2,3,4)(5,6)(7,8)/rA:11nCCCCNCCCCNO/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H18N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.70533
Area:341.94
Solvation:-0.843171
Coulombic:-5.87235
Bond Count [?]
All:10
Single:9
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:158.241
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.88
LogP (Chemaxon):2.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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