2-ethyl-1-N-methylhexane-1,3-diamine

C9H22N2 — CID 116946426

IUPAC2-ethyl-1-N-methylhexane-1,3-diamine
SMILESCCCC(N)C(CC)CNC
InChIInChI=1S/C9H22N2/c1-4-6-9(10)8(5-2)7-11-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyFJIIKXUMYWQEEM-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.36
Rot. Bonds6

About 2-ethyl-1-N-methylhexane-1,3-diamine

2-ethyl-1-N-methylhexane-1,3-diamine (PubChem CID 116946426) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-ethyl-1-N-methylhexane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-methylhexane-1,3-diamine
PubChem CID116946426
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-ethyl-1-N-methylhexane-1,3-diamine
SMILESCCCC(N)C(CC)CNC
InChIInChI=1S/C9H22N2/c1-4-6-9(10)8(5-2)7-11-3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyFJIIKXUMYWQEEM-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

2-ethyl-1-N,3-N-dimethylhexane-1,3-diamine
CID 116960751
(2R,3R)-3-amino-2-ethylhexan-1-ol
CID 11126400
(4R,5R)-octane-4,5-diamine
CID 13138963
3,4-diethyl-N,2-dimethylheptan-1-amine
CID 123701896
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
3-ethyl-6-methylnonan-4-amine
CID 115845628
2-ethyl-N-methylpentan-1-amine;propane
CID 143462607
1-cyclobutyl-2-ethyl-N'-methylpropane-1,3-diamine
CID 116946560
1-N,3-dimethylheptane-1,2-diamine
CID 89145874
5,9-diethyltridecane-6,8-diamine
CID 57146972
(2S)-1-N-methylhexane-1,2-diamine
CID 89357717
4,5-diethyloctane
CID 519254

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-methylhexane-1,3-diamine?
The IUPAC name of 2-ethyl-1-N-methylhexane-1,3-diamine (CID 116946426) is 2-ethyl-1-N-methylhexane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-N-methylhexane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-N-methylhexane-1,3-diamine is CCCC(N)C(CC)CNC.
What is the InChIKey of 2-ethyl-1-N-methylhexane-1,3-diamine?
The InChIKey is FJIIKXUMYWQEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-6-9(10)8(5-2)7-11-3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-1-N-methylhexane-1,3-diamine?
2-ethyl-1-N-methylhexane-1,3-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 2-ethyl-1-N-methylhexane-1,3-diamine is sourced from PubChem (CID 116946426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).