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

C17H27N — CID 55194302

IUPACN-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27N/c1-13-6-5-7-16(13)18-12-14-8-10-15(11-9-14)17(2,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyCEFLOGUSNGBOME-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.26
Rot. Bonds3

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

N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 55194302) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID55194302
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27N/c1-13-6-5-7-16(13)18-12-14-8-10-15(11-9-14)17(2,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyCEFLOGUSNGBOME-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine (CID 55194302) is N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is CEFLOGUSNGBOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-6-5-7-16(13)18-12-14-8-10-15(11-9-14)17(2,3)4/h8-11,13,16,18H,5-7,12H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine?
N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 55194302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).