2-propylhexane-1,4-diamine

C9H22N2 — CID 174915124

IUPAC2-propylhexane-1,4-diamine
SMILESCCCC(CN)CC(N)CC
InChIInChI=1S/C9H22N2/c1-3-5-8(7-10)6-9(11)4-2/h8-9H,3-7,10-11H2,1-2H3
InChIKeyUDQOHUAPVCZBAZ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.49
Rot. Bonds6

About 2-propylhexane-1,4-diamine

2-propylhexane-1,4-diamine (PubChem CID 174915124) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-propylhexane-1,4-diamine.

Molecular Properties

Compound Name2-propylhexane-1,4-diamine
PubChem CID174915124
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-propylhexane-1,4-diamine
SMILESCCCC(CN)CC(N)CC
InChIInChI=1S/C9H22N2/c1-3-5-8(7-10)6-9(11)4-2/h8-9H,3-7,10-11H2,1-2H3
InChIKeyUDQOHUAPVCZBAZ-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyloctan-4-amine
CID 82920638
(3S)-3-(aminomethyl)hexan-1-ol
CID 95566845
5-methyloctan-3-amine
CID 62599907
(2S)-2-amino-4-ethylheptan-1-ol
CID 145497284
4-ethyloctane-1,6-diamine
CID 89464533
(5R)-heptane-3,5-diamine
CID 118180613
ethane;hexan-3-amine
CID 143616305
heptane-1,3,5-triamine
CID 89360326
ethane;hexan-3-amine;methane
CID 145152462
4-amino-2-ethylhexan-1-ol
CID 148917024
2-propylheptan-1-amine
CID 21267775
hexadecane-3,5-diamine
CID 175043722

Frequently Asked Questions

What is the IUPAC name of 2-propylhexane-1,4-diamine?
The IUPAC name of 2-propylhexane-1,4-diamine (CID 174915124) is 2-propylhexane-1,4-diamine.
What is the SMILES notation for 2-propylhexane-1,4-diamine?
The canonical SMILES for 2-propylhexane-1,4-diamine is CCCC(CN)CC(N)CC.
What is the InChIKey of 2-propylhexane-1,4-diamine?
The InChIKey is UDQOHUAPVCZBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-3-5-8(7-10)6-9(11)4-2/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 2-propylhexane-1,4-diamine?
2-propylhexane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylhexane-1,4-diamine is sourced from PubChem (CID 174915124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).