3-(aminomethyl)-6,7,7-trimethyloctan-4-ol

C12H27NO — CID 65188124

IUPAC3-(aminomethyl)-6,7,7-trimethyloctan-4-ol
SMILESCCC(CN)C(O)CC(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-10(8-13)11(14)7-9(2)12(3,4)5/h9-11,14H,6-8,13H2,1-5H3
InChIKeyAUPBYQQGJDXVBT-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.40
Rot. Bonds5

About 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol

3-(aminomethyl)-6,7,7-trimethyloctan-4-ol (PubChem CID 65188124) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6,7,7-trimethyloctan-4-ol
PubChem CID65188124
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(aminomethyl)-6,7,7-trimethyloctan-4-ol
SMILESCCC(CN)C(O)CC(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-6-10(8-13)11(14)7-9(2)12(3,4)5/h9-11,14H,6-8,13H2,1-5H3
InChIKeyAUPBYQQGJDXVBT-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-6,7,7-trimethyloctan-4-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

5-(aminomethyl)-2-methylheptan-4-ol
CID 65187754
6-ethyl-2,2,3-trimethyl-5-pentan-3-yloctane
CID 158668503
(3R)-3-(aminomethyl)pentan-2-ol
CID 141325021
3-(aminomethyl)heptan-4-ol
CID 54499673
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
5-ethylheptane-2,4-diol
CID 87867419
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol
CID 65187810
4-(aminomethyl)-2-methoxy-2-methylhexan-3-ol
CID 165445412
1-amino-2-(2-methoxyphenyl)-5,6,6-trimethylheptan-3-ol
CID 65190228
2-ethyl-5,6,6-trimethylheptan-1-amine
CID 130337390
3-(aminomethyl)-4,5-dimethylheptan-4-ol
CID 79134739

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol?
The IUPAC name of 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol (CID 65188124) is 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol.
What is the SMILES notation for 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol?
The canonical SMILES for 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol is CCC(CN)C(O)CC(C)C(C)(C)C.
What is the InChIKey of 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol?
The InChIKey is AUPBYQQGJDXVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-10(8-13)11(14)7-9(2)12(3,4)5/h9-11,14H,6-8,13H2,1-5H3.
What are the key properties of 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol?
3-(aminomethyl)-6,7,7-trimethyloctan-4-ol has a molecular weight of 201.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6,7,7-trimethyloctan-4-ol is sourced from PubChem (CID 65188124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).