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

C18H29N — CID 63526762

IUPAC4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
SMILESCNC(CCC1CCCC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H29N/c1-14-8-9-17(12-15(14)2)13-18(19-3)11-10-16-6-4-5-7-16/h8-9,12,16,18-19H,4-7,10-11,13H2,1-3H3
InChIKeyOHFPIWLACYZZHG-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.40
Rot. Bonds6

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

4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine (PubChem CID 63526762) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
PubChem CID63526762
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine
SMILESCNC(CCC1CCCC1)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H29N/c1-14-8-9-17(12-15(14)2)13-18(19-3)11-10-16-6-4-5-7-16/h8-9,12,16,18-19H,4-7,10-11,13H2,1-3H3
InChIKeyOHFPIWLACYZZHG-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethylbutan-2-amine
CID 63527108
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
4-cyclopentyl-N-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 63528992
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
1-(3-chlorophenyl)-4-cyclohexyl-N-methylbutan-2-amine
CID 63528999
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 64565584
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170
4-cyclohexyl-N-methyl-1-thiophen-3-ylbutan-2-amine
CID 61077655
[4-cyclopentyl-1-(4-methylphenyl)butan-2-yl]hydrazine
CID 105284261
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
1-(3,4-dimethylphenyl)-N,5-dimethylhex-5-en-2-amine
CID 114474589
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine (CID 63526762) is 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine is CNC(CCC1CCCC1)Cc1ccc(C)c(C)c1.
What is the InChIKey of 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine?
The InChIKey is OHFPIWLACYZZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-8-9-17(12-15(14)2)13-18(19-3)11-10-16-6-4-5-7-16/h8-9,12,16,18-19H,4-7,10-11,13H2,1-3H3.
What are the key properties of 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine?
4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(3,4-dimethylphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 63526762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).