2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine

C19H31N — CID 106661989

IUPAC2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
SMILESCC(C)CC(NC1CC(C)(C)CC1C)c1ccccc1
InChIInChI=1S/C19H31N/c1-14(2)11-17(16-9-7-6-8-10-16)20-18-13-19(4,5)12-15(18)3/h6-10,14-15,17-18,20H,11-13H2,1-5H3
InChIKeyUJDTYFNJWRFHLW-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.19
Rot. Bonds5

About 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine

2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine (PubChem CID 106661989) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
PubChem CID106661989
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine
SMILESCC(C)CC(NC1CC(C)(C)CC1C)c1ccccc1
InChIInChI=1S/C19H31N/c1-14(2)11-17(16-9-7-6-8-10-16)20-18-13-19(4,5)12-15(18)3/h6-10,14-15,17-18,20H,11-13H2,1-5H3
InChIKeyUJDTYFNJWRFHLW-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine (CID 106661989) is 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine is CC(C)CC(NC1CC(C)(C)CC1C)c1ccccc1.
What is the InChIKey of 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine?
The InChIKey is UJDTYFNJWRFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14(2)11-17(16-9-7-6-8-10-16)20-18-13-19(4,5)12-15(18)3/h6-10,14-15,17-18,20H,11-13H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(3-methyl-1-phenylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 106661989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).