3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine

C16H25N — CID 64506233

IUPAC3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
SMILESCC(C)(C)c1ccc(CC2CCC(N)C2)cc1
InChIInChI=1S/C16H25N/c1-16(2,3)14-7-4-12(5-8-14)10-13-6-9-15(17)11-13/h4-5,7-8,13,15H,6,9-11,17H2,1-3H3
InChIKeyBVEHOBHPVPUXDQ-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.65
Rot. Bonds2

About 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine

3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine (PubChem CID 64506233) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
PubChem CID64506233
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine
SMILESCC(C)(C)c1ccc(CC2CCC(N)C2)cc1
InChIInChI=1S/C16H25N/c1-16(2,3)14-7-4-12(5-8-14)10-13-6-9-15(17)11-13/h4-5,7-8,13,15H,6,9-11,17H2,1-3H3
InChIKeyBVEHOBHPVPUXDQ-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine (CID 64506233) is 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine is CC(C)(C)c1ccc(CC2CCC(N)C2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine?
The InChIKey is BVEHOBHPVPUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-16(2,3)14-7-4-12(5-8-14)10-13-6-9-15(17)11-13/h4-5,7-8,13,15H,6,9-11,17H2,1-3H3.
What are the key properties of 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine?
3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64506233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).