2-N-hexan-3-ylpropane-1,2-diamine

C9H22N2 — CID 103389738

IUPAC2-N-hexan-3-ylpropane-1,2-diamine
SMILESCCCC(CC)NC(C)CN
InChIInChI=1S/C9H22N2/c1-4-6-9(5-2)11-8(3)7-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyCGGCFPDSZQAYNX-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds6

About 2-N-hexan-3-ylpropane-1,2-diamine

2-N-hexan-3-ylpropane-1,2-diamine (PubChem CID 103389738) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-N-hexan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-hexan-3-ylpropane-1,2-diamine
PubChem CID103389738
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-N-hexan-3-ylpropane-1,2-diamine
SMILESCCCC(CC)NC(C)CN
InChIInChI=1S/C9H22N2/c1-4-6-9(5-2)11-8(3)7-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyCGGCFPDSZQAYNX-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
N-(1-ethoxypropan-2-yl)hexan-3-amine
CID 115888994
N-butan-2-ylheptan-4-amine
CID 43190303
N-pentan-3-ylhexan-3-amine
CID 62118915
3-N-butan-2-ylpentane-1,3-diamine
CID 79687854
2-N-butan-2-ylbutane-1,2-diamine
CID 65383275
N-pent-4-en-2-ylhexan-3-amine
CID 103921873
methyl 3-(hexan-3-ylamino)butanoate
CID 62117257
3-(hexan-3-ylamino)-N-propan-2-ylbutanamide
CID 115905985
1-[[(3R)-hexan-3-yl]amino]propan-1-ol
CID 163869071
N-(4-methylpentan-2-yl)heptan-4-amine
CID 43371859
N-(5-methylhexan-2-yl)heptan-4-amine
CID 43097819

Frequently Asked Questions

What is the IUPAC name of 2-N-hexan-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-hexan-3-ylpropane-1,2-diamine (CID 103389738) is 2-N-hexan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-hexan-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-hexan-3-ylpropane-1,2-diamine is CCCC(CC)NC(C)CN.
What is the InChIKey of 2-N-hexan-3-ylpropane-1,2-diamine?
The InChIKey is CGGCFPDSZQAYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-6-9(5-2)11-8(3)7-10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-N-hexan-3-ylpropane-1,2-diamine?
2-N-hexan-3-ylpropane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 103389738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).