3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine

C17H27N — CID 43482676

IUPAC3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)c1ccc(C)cc1C
InChIInChI=1S/C17H27N/c1-13-8-10-16(14(2)12-13)17(18-3)11-9-15-6-4-5-7-15/h8,10,12,15,17-18H,4-7,9,11H2,1-3H3
InChIKeyNKOOCOZDJRTUBK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.53
Rot. Bonds5

About 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine

3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 43482676) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID43482676
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine
SMILESCNC(CCC1CCCC1)c1ccc(C)cc1C
InChIInChI=1S/C17H27N/c1-13-8-10-16(14(2)12-13)17(18-3)11-9-15-6-4-5-7-15/h8,10,12,15,17-18H,4-7,9,11H2,1-3H3
InChIKeyNKOOCOZDJRTUBK-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]propan-1-amine
CID 102757776
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CID 104990513
3-cyclohexyl-N-methyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 43484245
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
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CID 63438485
3-cyclopentyl-N-methyl-1-(3-methyl-4-pyridinyl)propan-1-amine
CID 114192227
3-cyclopropyl-1-(2-methoxy-4-methylphenyl)-N-methylpropan-1-amine
CID 106791881
1-(2,4-dimethylphenyl)-N,N'-dimethyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63468718
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
methyl 4-(2,4-dimethylphenyl)-4-(methylamino)butanoate
CID 116955511
3-cyclopentyl-1-(3,5-dimethylthiophen-2-yl)-N-methylpropan-1-amine
CID 81155888
2-cyclopentyl-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115847143

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine (CID 43482676) is 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine is CNC(CCC1CCCC1)c1ccc(C)cc1C.
What is the InChIKey of 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is NKOOCOZDJRTUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13-8-10-16(14(2)12-13)17(18-3)11-9-15-6-4-5-7-15/h8,10,12,15,17-18H,4-7,9,11H2,1-3H3.
What are the key properties of 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine?
3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,4-dimethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 43482676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).