3,5,7-trimethyloctan-1-amine

C11H25N — CID 89355702

IUPAC3,5,7-trimethyloctan-1-amine
SMILESCC(C)CC(C)CC(C)CCN
InChIInChI=1S/C11H25N/c1-9(2)7-11(4)8-10(3)5-6-12/h9-11H,5-8,12H2,1-4H3
InChIKeyBGXAWVNQWXSXMB-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.04
Rot. Bonds6

About 3,5,7-trimethyloctan-1-amine

3,5,7-trimethyloctan-1-amine (PubChem CID 89355702) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 3,5,7-trimethyloctan-1-amine.

Molecular Properties

Compound Name3,5,7-trimethyloctan-1-amine
PubChem CID89355702
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name3,5,7-trimethyloctan-1-amine
SMILESCC(C)CC(C)CC(C)CCN
InChIInChI=1S/C11H25N/c1-9(2)7-11(4)8-10(3)5-6-12/h9-11H,5-8,12H2,1-4H3
InChIKeyBGXAWVNQWXSXMB-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5,7-trimethyloctan-1-amine 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 3,5,7-trimethyloctan-1-amine?
The IUPAC name of 3,5,7-trimethyloctan-1-amine (CID 89355702) is 3,5,7-trimethyloctan-1-amine.
What is the SMILES notation for 3,5,7-trimethyloctan-1-amine?
The canonical SMILES for 3,5,7-trimethyloctan-1-amine is CC(C)CC(C)CC(C)CCN.
What is the InChIKey of 3,5,7-trimethyloctan-1-amine?
The InChIKey is BGXAWVNQWXSXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-9(2)7-11(4)8-10(3)5-6-12/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 3,5,7-trimethyloctan-1-amine?
3,5,7-trimethyloctan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethyloctan-1-amine is sourced from PubChem (CID 89355702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).