1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine

C18H27N — CID 105045068

IUPAC1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H27N/c1-19-18(13-14-5-2-3-6-14)17-11-9-16(10-12-17)15-7-4-8-15/h9-12,14-15,18-19H,2-8,13H2,1H3
InChIKeyOCMRVKGWYAAKDV-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.79
Rot. Bonds5

About 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine

1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine (PubChem CID 105045068) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
PubChem CID105045068
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H27N/c1-19-18(13-14-5-2-3-6-14)17-11-9-16(10-12-17)15-7-4-8-15/h9-12,14-15,18-19H,2-8,13H2,1H3
InChIKeyOCMRVKGWYAAKDV-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-cyclobutylphenyl)-2-cycloheptylethyl]hydrazine
CID 105338120
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
1-(4-cyclohexylphenyl)-N,3-dimethylbutan-1-amine
CID 43484998
N-[1-(4-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 116506358
2-cyclopentyl-N-methyl-1-(4-propylphenyl)ethanamine
CID 60771358
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
4-(4-cyclohexylphenyl)-4-(methylamino)butanenitrile
CID 116955276
2-cyclobutyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81491759
1-(4-cyclobutylphenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 116506276
2-(4-cyclopropylphenyl)-2-(methylamino)ethanol
CID 79980509
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine (CID 105045068) is 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine is CNC(CC1CCCC1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine?
The InChIKey is OCMRVKGWYAAKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-19-18(13-14-5-2-3-6-14)17-11-9-16(10-12-17)15-7-4-8-15/h9-12,14-15,18-19H,2-8,13H2,1H3.
What are the key properties of 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine?
1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine has a molecular weight of 257.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 105045068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).