3-(aminomethyl)-3,5,5-trimethylhexan-1-ol

C10H23NO — CID 19608967

IUPAC3-(aminomethyl)-3,5,5-trimethylhexan-1-ol
SMILESCC(C)(C)CC(C)(CN)CCO
InChIInChI=1S/C10H23NO/c1-9(2,3)7-10(4,8-11)5-6-12/h12H,5-8,11H2,1-4H3
InChIKeyKMTNITDRQBKSEI-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds4

About 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol

3-(aminomethyl)-3,5,5-trimethylhexan-1-ol (PubChem CID 19608967) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3,5,5-trimethylhexan-1-ol
PubChem CID19608967
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name3-(aminomethyl)-3,5,5-trimethylhexan-1-ol
SMILESCC(C)(C)CC(C)(CN)CCO
InChIInChI=1S/C10H23NO/c1-9(2,3)7-10(4,8-11)5-6-12/h12H,5-8,11H2,1-4H3
InChIKeyKMTNITDRQBKSEI-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-3,5,5-trimethylhexan-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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol?
The IUPAC name of 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol (CID 19608967) is 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol is CC(C)(C)CC(C)(CN)CCO.
What is the InChIKey of 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol?
The InChIKey is KMTNITDRQBKSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2,3)7-10(4,8-11)5-6-12/h12H,5-8,11H2,1-4H3.
What are the key properties of 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol?
3-(aminomethyl)-3,5,5-trimethylhexan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 19608967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).