N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine

C19H31N — CID 79436169

IUPACN-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(CNC(C)(C)C)CC2CCCC2)cc1
InChIInChI=1S/C19H31N/c1-15-9-11-17(12-10-15)18(14-20-19(2,3)4)13-16-7-5-6-8-16/h9-12,16,18,20H,5-8,13-14H2,1-4H3
InChIKeyCUDOINNRBVWLPU-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.05
Rot. Bonds5

About N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine

N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine (PubChem CID 79436169) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
PubChem CID79436169
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
SMILESCc1ccc(C(CNC(C)(C)C)CC2CCCC2)cc1
InChIInChI=1S/C19H31N/c1-15-9-11-17(12-10-15)18(14-20-19(2,3)4)13-16-7-5-6-8-16/h9-12,16,18,20H,5-8,13-14H2,1-4H3
InChIKeyCUDOINNRBVWLPU-UHFFFAOYSA-N
XLogP5.05
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 ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-2-(4-methylphenyl)propan-1-amine
CID 79437228
N-[2-cyclopropyl-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 104819457
2-(4-chlorophenyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 79441644
N-tert-butyl-2-(4-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 115943428
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
4-butoxy-N-tert-butyl-2-(4-methylphenyl)butan-1-amine
CID 79430720
2-(4-chlorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 79441863
3-cyclopentyl-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79441698
N-(3-cyclohexyl-2-fluoropropyl)-2-methylpropan-2-amine
CID 107446536
N-tert-butyl-2-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 63522044
N-[2-(1,1-dioxothiolan-3-yl)-2-(4-methylphenyl)ethyl]-2-methylpropan-2-amine
CID 79430969
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine (CID 79436169) is N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine is Cc1ccc(C(CNC(C)(C)C)CC2CCCC2)cc1.
What is the InChIKey of N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine?
The InChIKey is CUDOINNRBVWLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15-9-11-17(12-10-15)18(14-20-19(2,3)4)13-16-7-5-6-8-16/h9-12,16,18,20H,5-8,13-14H2,1-4H3.
What are the key properties of N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine?
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79436169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).