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

C9H22N2 — CID 62201000

IUPAC1-N-hexan-2-ylpropane-1,2-diamine
SMILESCCCCC(C)NCC(C)N
InChIInChI=1S/C9H22N2/c1-4-5-6-9(3)11-7-8(2)10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMCCVTUZVTZXKAI-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds6

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

1-N-hexan-2-ylpropane-1,2-diamine (PubChem CID 62201000) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N-hexan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-hexan-2-ylpropane-1,2-diamine
PubChem CID62201000
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N-hexan-2-ylpropane-1,2-diamine
SMILESCCCCC(C)NCC(C)N
InChIInChI=1S/C9H22N2/c1-4-5-6-9(3)11-7-8(2)10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMCCVTUZVTZXKAI-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

1-N-hexan-2-yl-2-methylheptane-1,6-diamine
CID 65295730
1-N-hexan-2-yl-4-methylpentane-1,2-diamine
CID 62200998
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655
2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372
1-N'-[2-[2-(2-aminopropylamino)propylamino]propyl]tetracosane-1,1,6-triamine
CID 88512962
1-N-[1-[1-(hexadecylamino)propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 18792189
1-N-[1-[1-(docosylamino)propan-2-ylamino]propan-2-yl]propane-1,2-diamine
CID 18794953
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
3-(heptan-2-ylamino)-2-methylpropanamide
CID 61464618
N-heptan-2-yl-N',2-dimethylpropane-1,3-diamine
CID 79201836
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793

Frequently Asked Questions

What is the IUPAC name of 1-N-hexan-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N-hexan-2-ylpropane-1,2-diamine (CID 62201000) is 1-N-hexan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N-hexan-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N-hexan-2-ylpropane-1,2-diamine is CCCCC(C)NCC(C)N.
What is the InChIKey of 1-N-hexan-2-ylpropane-1,2-diamine?
The InChIKey is MCCVTUZVTZXKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-5-6-9(3)11-7-8(2)10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1-N-hexan-2-ylpropane-1,2-diamine?
1-N-hexan-2-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 1-N-hexan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 62201000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).