(4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine

C17H25N — CID 116506220

IUPAC(4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C17H25N/c1-12-5-6-16(11-12)17(18)15-9-7-14(8-10-15)13-3-2-4-13/h7-10,12-13,16-17H,2-6,11,18H2,1H3
InChIKeyUSBNQPJORYSCKF-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.39
Rot. Bonds3

About (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine

(4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine (PubChem CID 116506220) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine
PubChem CID116506220
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(C(N)c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C17H25N/c1-12-5-6-16(11-12)17(18)15-9-7-14(8-10-15)13-3-2-4-13/h7-10,12-13,16-17H,2-6,11,18H2,1H3
InChIKeyUSBNQPJORYSCKF-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(4-cyclobutylphenyl)methanamine
CID 105045090
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
1-(4-cyclobutylphenyl)-2-methylbutan-1-amine
CID 116506106
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
(4-cyclobutylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345465
1-(4-cyclobutylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 116505983
[4-(4-methoxyphenyl)cyclohexyl]-phenylmethanamine
CID 24738284
(4-cyclohexylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107000898
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
(3-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methanamine
CID 79704869
(3-cyclobutylphenyl)-(3-methylcyclohexyl)methanol
CID 114601424

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine?
The IUPAC name of (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine (CID 116506220) is (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine?
The canonical SMILES for (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine is CC1CCC(C(N)c2ccc(C3CCC3)cc2)C1.
What is the InChIKey of (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine?
The InChIKey is USBNQPJORYSCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-5-6-16(11-12)17(18)15-9-7-14(8-10-15)13-3-2-4-13/h7-10,12-13,16-17H,2-6,11,18H2,1H3.
What are the key properties of (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine?
(4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine has a molecular weight of 243.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 116506220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).