3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine

C18H27N — CID 114606402

IUPAC3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H27N/c1-3-19-17-10-11-18(2,13-17)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyQXEMJQLCAXMKBO-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.37
Rot. Bonds4

About 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine

3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine (PubChem CID 114606402) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine
PubChem CID114606402
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H27N/c1-3-19-17-10-11-18(2,13-17)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13H2,1-2H3
InChIKeyQXEMJQLCAXMKBO-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine
CID 116539435
1-(3-cyclobutylphenyl)-3,3-dimethylcyclopentan-1-ol
CID 114601509
N-ethyl-3-(5-fluoro-3-pyridinyl)-3-methylcyclopentan-1-amine
CID 116539398
3-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 114733667
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine
CID 102837866
3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 116539484
3-(3-cyclobutylphenyl)-N-propylcyclohexan-1-amine
CID 114606245
1-(3-cyclobutylphenyl)-2-methylcyclopentan-1-ol
CID 114601384
1-(3-cyclobutylphenyl)-3,5-dimethylcyclohexan-1-ol
CID 114601365

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine?
The IUPAC name of 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine (CID 114606402) is 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine is CCNC1CCC(C)(c2cccc(C3CCC3)c2)C1.
What is the InChIKey of 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine?
The InChIKey is QXEMJQLCAXMKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-19-17-10-11-18(2,13-17)16-9-5-8-15(12-16)14-6-4-7-14/h5,8-9,12,14,17,19H,3-4,6-7,10-11,13H2,1-2H3.
What are the key properties of 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine?
3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylphenyl)-N-ethyl-3-methylcyclopentan-1-amine is sourced from PubChem (CID 114606402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).