3-N-propylhexane-1,3-diamine

C9H22N2 — CID 88724695

IUPAC3-N-propylhexane-1,3-diamine
SMILESCCCNC(CCC)CCN
InChIInChI=1S/C9H22N2/c1-3-5-9(6-7-10)11-8-4-2/h9,11H,3-8,10H2,1-2H3
InChIKeyMVDXSTRXMSOQGL-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds7

About 3-N-propylhexane-1,3-diamine

3-N-propylhexane-1,3-diamine (PubChem CID 88724695) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3-N-propylhexane-1,3-diamine.

Molecular Properties

Compound Name3-N-propylhexane-1,3-diamine
PubChem CID88724695
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3-N-propylhexane-1,3-diamine
SMILESCCCNC(CCC)CCN
InChIInChI=1S/C9H22N2/c1-3-5-9(6-7-10)11-8-4-2/h9,11H,3-8,10H2,1-2H3
InChIKeyMVDXSTRXMSOQGL-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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-methoxy-N-propylhexan-3-amine
CID 61412304
2-N-dodecylbutane-1,2,4-triamine
CID 19990016
1-propoxy-N-propylheptan-4-amine
CID 79568616
N-[(3R)-1-aminohexan-3-yl]formamide
CID 142102579
2-(heptan-4-ylamino)ethanesulfonamide
CID 43551797
4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 62065657
N-pentyloctan-4-amine
CID 106023306
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
1-[(2-methylpropan-2-yl)oxy]-N-propylheptan-4-amine
CID 112590468
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
1-N,1-N'-dipropylbutane-1,1-diamine
CID 154626428
1-N,1-N'-bis(2-aminoethyl)butane-1,1-diamine
CID 141030992

Frequently Asked Questions

What is the IUPAC name of 3-N-propylhexane-1,3-diamine?
The IUPAC name of 3-N-propylhexane-1,3-diamine (CID 88724695) is 3-N-propylhexane-1,3-diamine.
What is the SMILES notation for 3-N-propylhexane-1,3-diamine?
The canonical SMILES for 3-N-propylhexane-1,3-diamine is CCCNC(CCC)CCN.
What is the InChIKey of 3-N-propylhexane-1,3-diamine?
The InChIKey is MVDXSTRXMSOQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-3-5-9(6-7-10)11-8-4-2/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 3-N-propylhexane-1,3-diamine?
3-N-propylhexane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propylhexane-1,3-diamine is sourced from PubChem (CID 88724695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).