3-methyl-5-(methylamino)pentan-1-ol

C7H17NO — CID 12040651

IUPAC3-methyl-5-(methylamino)pentan-1-ol
SMILESCNCCC(C)CCO
InChIInChI=1S/C7H17NO/c1-7(4-6-9)3-5-8-2/h7-9H,3-6H2,1-2H3
InChIKeyHDELJFJGRGFQBX-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.61
Rot. Bonds5

About 3-methyl-5-(methylamino)pentan-1-ol

3-methyl-5-(methylamino)pentan-1-ol (PubChem CID 12040651) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name3-methyl-5-(methylamino)pentan-1-ol
PubChem CID12040651
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name3-methyl-5-(methylamino)pentan-1-ol
SMILESCNCCC(C)CCO
InChIInChI=1S/C7H17NO/c1-7(4-6-9)3-5-8-2/h7-9H,3-6H2,1-2H3
InChIKeyHDELJFJGRGFQBX-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-(methylamino)pentan-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-methyl-5-(methylamino)pentan-1-ol?
The IUPAC name of 3-methyl-5-(methylamino)pentan-1-ol (CID 12040651) is 3-methyl-5-(methylamino)pentan-1-ol.
What is the SMILES notation for 3-methyl-5-(methylamino)pentan-1-ol?
The canonical SMILES for 3-methyl-5-(methylamino)pentan-1-ol is CNCCC(C)CCO.
What is the InChIKey of 3-methyl-5-(methylamino)pentan-1-ol?
The InChIKey is HDELJFJGRGFQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(4-6-9)3-5-8-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-methyl-5-(methylamino)pentan-1-ol?
3-methyl-5-(methylamino)pentan-1-ol has a molecular weight of 131.22 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)pentan-1-ol is sourced from PubChem (CID 12040651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).