2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine

C17H27N — CID 61381555

IUPAC2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27N/c1-17(2,3)15-10-8-13(9-11-15)12-14-6-5-7-16(14)18-4/h8-11,14,16,18H,5-7,12H2,1-4H3
InChIKeyFZXOKKFDKSQZBG-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.91
Rot. Bonds3

About 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine

2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 61381555) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID61381555
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27N/c1-17(2,3)15-10-8-13(9-11-15)12-14-6-5-7-16(14)18-4/h8-11,14,16,18H,5-7,12H2,1-4H3
InChIKeyFZXOKKFDKSQZBG-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Phenpromethamine hydrochloride
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Pramiverine
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N-methyl-4,4-diphenylbutan-1-amine
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alpha-benzyl-N-methylphenethylamine
CID 93287
N-Methyl-gamma-phenylbenzenepropanamine
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[(4-Tert-butylphenyl)methyl](methyl)amine
CID 2396874

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine (CID 61381555) is 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine is CNC1CCCC1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is FZXOKKFDKSQZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-17(2,3)15-10-8-13(9-11-15)12-14-6-5-7-16(14)18-4/h8-11,14,16,18H,5-7,12H2,1-4H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine?
2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 61381555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).