3-(aminomethyl)-3-propylhexan-1-ol

C10H23NO — CID 66092129

IUPAC3-(aminomethyl)-3-propylhexan-1-ol
SMILESCCCC(CN)(CCC)CCO
InChIInChI=1S/C10H23NO/c1-3-5-10(9-11,6-4-2)7-8-12/h12H,3-9,11H2,1-2H3
InChIKeyQOXDYOKQOQNCIW-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.91
Rot. Bonds7

About 3-(aminomethyl)-3-propylhexan-1-ol

3-(aminomethyl)-3-propylhexan-1-ol (PubChem CID 66092129) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-(aminomethyl)-3-propylhexan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-propylhexan-1-ol
PubChem CID66092129
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-(aminomethyl)-3-propylhexan-1-ol
SMILESCCCC(CN)(CCC)CCO
InChIInChI=1S/C10H23NO/c1-3-5-10(9-11,6-4-2)7-8-12/h12H,3-9,11H2,1-2H3
InChIKeyQOXDYOKQOQNCIW-UHFFFAOYSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-3-propylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
CID 106506327
2-butyl-2-propylpentane-1,5-diamine
CID 71310126
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595
3-(aminomethyl)-3-propylhexanoic acid
CID 66096632
2-(aminomethyl)-2-(2-propoxyethyl)pentan-1-ol
CID 106506442
2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
N'-methyl-2,2-dipropylpropane-1,3-diamine
CID 137396478
2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521
3,3-dioctadecylpentane-1,5-diol
CID 59698466
(2S)-2-amino-2-propylbutane-1,4-diol
CID 174635362
4-amino-3,3-dimethylbutan-1-ol
CID 55290156

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-propylhexan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-propylhexan-1-ol (CID 66092129) is 3-(aminomethyl)-3-propylhexan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-propylhexan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-propylhexan-1-ol is CCCC(CN)(CCC)CCO.
What is the InChIKey of 3-(aminomethyl)-3-propylhexan-1-ol?
The InChIKey is QOXDYOKQOQNCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-3-5-10(9-11,6-4-2)7-8-12/h12H,3-9,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-3-propylhexan-1-ol?
3-(aminomethyl)-3-propylhexan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-propylhexan-1-ol is sourced from PubChem (CID 66092129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).