1-(3,5-dimethylphenyl)pentan-3-amine

C13H21N — CID 61028889

IUPAC1-(3,5-dimethylphenyl)pentan-3-amine
SMILESCCC(N)CCc1cc(C)cc(C)c1
InChIInChI=1S/C13H21N/c1-4-13(14)6-5-12-8-10(2)7-11(3)9-12/h7-9,13H,4-6,14H2,1-3H3
InChIKeyRMLWGDBMABUBPU-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.97
Rot. Bonds4

About 1-(3,5-dimethylphenyl)pentan-3-amine

1-(3,5-dimethylphenyl)pentan-3-amine (PubChem CID 61028889) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)pentan-3-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)pentan-3-amine
PubChem CID61028889
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(3,5-dimethylphenyl)pentan-3-amine
SMILESCCC(N)CCc1cc(C)cc(C)c1
InChIInChI=1S/C13H21N/c1-4-13(14)6-5-12-8-10(2)7-11(3)9-12/h7-9,13H,4-6,14H2,1-3H3
InChIKeyRMLWGDBMABUBPU-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylphenyl)pentan-3-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 1-(3,5-dimethylphenyl)pentan-3-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)pentan-3-amine (CID 61028889) is 1-(3,5-dimethylphenyl)pentan-3-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)pentan-3-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)pentan-3-amine is CCC(N)CCc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)pentan-3-amine?
The InChIKey is RMLWGDBMABUBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-13(14)6-5-12-8-10(2)7-11(3)9-12/h7-9,13H,4-6,14H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)pentan-3-amine?
1-(3,5-dimethylphenyl)pentan-3-amine has a molecular weight of 191.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)pentan-3-amine is sourced from PubChem (CID 61028889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).