1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine

C16H25N — CID 64513866

IUPAC1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C16H25N/c1-12-9-10-16(17,11-12)14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11,17H2,1-4H3
InChIKeyGLRHQIOZRTZKCO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.96
Rot. Bonds1

About 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine

1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine (PubChem CID 64513866) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine
PubChem CID64513866
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(N)(c2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C16H25N/c1-12-9-10-16(17,11-12)14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11,17H2,1-4H3
InChIKeyGLRHQIOZRTZKCO-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-tert-butylphenyl)-3-methylcyclopentan-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 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine (CID 64513866) is 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine is CC1CCC(N)(c2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine?
The InChIKey is GLRHQIOZRTZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-9-10-16(17,11-12)14-7-5-13(6-8-14)15(2,3)4/h5-8,12H,9-11,17H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine?
1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64513866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).