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

C19H31N — CID 82932886

IUPACN-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
SMILESCc1ccccc1CC(CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C19H31N/c1-15-9-5-6-12-17(15)13-18(14-20-19(2,3)4)16-10-7-8-11-16/h5-6,9,12,16,18,20H,7-8,10-11,13-14H2,1-4H3
InChIKeyXVGPFEXHCXHJLU-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.73
Rot. Bonds5

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

N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine (PubChem CID 82932886) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
PubChem CID82932886
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
SMILESCc1ccccc1CC(CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C19H31N/c1-15-9-5-6-12-17(15)13-18(14-20-19(2,3)4)16-10-7-8-11-16/h5-6,9,12,16,18,20H,7-8,10-11,13-14H2,1-4H3
InChIKeyXVGPFEXHCXHJLU-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2-chlorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 82933669
1-(2-cyclopropylbutyl)-2-methylbenzene
CID 163903555
N-tert-butyl-2-(methoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984387
[1-chloro-2-(2-methylphenyl)ethyl]cycloheptane
CID 63543365
1-(2-chloro-2-cyclohexylethyl)-2-methylbenzene
CID 63542153
N-tert-butyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 55196404
N-[2-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)propyl]-2-methylpropan-2-amine
CID 112570119
N-[3-(3-bromo-4-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-2-amine
CID 115926829
2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81035080
N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
CID 112570105
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
N'-tert-butyl-N-[1-(2-methylphenyl)propan-2-yl]ethane-1,2-diamine
CID 107445356

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine (CID 82932886) is N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine is Cc1ccccc1CC(CNC(C)(C)C)C1CCCC1.
What is the InChIKey of N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine?
The InChIKey is XVGPFEXHCXHJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-15-9-5-6-12-17(15)13-18(14-20-19(2,3)4)16-10-7-8-11-16/h5-6,9,12,16,18,20H,7-8,10-11,13-14H2,1-4H3.
What are the key properties of N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine?
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine has a molecular weight of 273.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82932886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).