1-N,3-dimethylheptane-1,2-diamine

C9H22N2 — CID 89145874

IUPAC1-N,3-dimethylheptane-1,2-diamine
SMILESCCCCC(C)C(N)CNC
InChIInChI=1S/C9H22N2/c1-4-5-6-8(2)9(10)7-11-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyHECORNOVSDKERH-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.36
Rot. Bonds6

About 1-N,3-dimethylheptane-1,2-diamine

1-N,3-dimethylheptane-1,2-diamine (PubChem CID 89145874) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,3-dimethylheptane-1,2-diamine.

Molecular Properties

Compound Name1-N,3-dimethylheptane-1,2-diamine
PubChem CID89145874
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,3-dimethylheptane-1,2-diamine
SMILESCCCCC(C)C(N)CNC
InChIInChI=1S/C9H22N2/c1-4-5-6-8(2)9(10)7-11-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyHECORNOVSDKERH-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-methylhexane-1,2-diamine
CID 89357717
(2R,3R)-2-N-methylheptane-2,3-diamine
CID 88890786
4-methylundecan-3-amine
CID 63562083
3,4-dimethyloctane-1,1-diamine
CID 156699535
(2S,3S)-2-amino-3-methylicosan-1-ol
CID 118700758
5,6,14,15-tetramethylnonadecane
CID 123473711
icosane-5,10,16-triamine
CID 88870264
2,4-dimethylnonan-5-amine
CID 123957338
4-methyltetradecan-5-amine
CID 115831509
(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099
2,3-dimethylheptane;ethane
CID 156648444

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethylheptane-1,2-diamine?
The IUPAC name of 1-N,3-dimethylheptane-1,2-diamine (CID 89145874) is 1-N,3-dimethylheptane-1,2-diamine.
What is the SMILES notation for 1-N,3-dimethylheptane-1,2-diamine?
The canonical SMILES for 1-N,3-dimethylheptane-1,2-diamine is CCCCC(C)C(N)CNC.
What is the InChIKey of 1-N,3-dimethylheptane-1,2-diamine?
The InChIKey is HECORNOVSDKERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-5-6-8(2)9(10)7-11-3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-N,3-dimethylheptane-1,2-diamine?
1-N,3-dimethylheptane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethylheptane-1,2-diamine is sourced from PubChem (CID 89145874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).