N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine

C20H31N — CID 116506045

IUPACN-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1CCCC(C)C1
InChIInChI=1S/C20H31N/c1-3-21-20(19-9-4-6-15(2)14-19)18-12-10-17(11-13-18)16-7-5-8-16/h10-13,15-16,19-21H,3-9,14H2,1-2H3
InChIKeyYUCNIVCFUFKLFF-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.43
Rot. Bonds5

About N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine

N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 116506045) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
PubChem CID116506045
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CCC2)cc1)C1CCCC(C)C1
InChIInChI=1S/C20H31N/c1-3-21-20(19-9-4-6-15(2)14-19)18-12-10-17(11-13-18)16-7-5-8-16/h10-13,15-16,19-21H,3-9,14H2,1-2H3
InChIKeyYUCNIVCFUFKLFF-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
CID 105044882
N-[(4-cyclopropyloxyphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 114519344
N-[[4-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]ethanamine
CID 104992083
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[(3-methylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544173
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820
[(3-methylcyclohexyl)-(4-propylphenyl)methyl]hydrazine
CID 105210218
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
1-(4-ethylsulfanylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 106848828
N-[(2,6-difluoro-3-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 82822378

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine (CID 116506045) is N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine is CCNC(c1ccc(C2CCC2)cc1)C1CCCC(C)C1.
What is the InChIKey of N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is YUCNIVCFUFKLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-3-21-20(19-9-4-6-15(2)14-19)18-12-10-17(11-13-18)16-7-5-8-16/h10-13,15-16,19-21H,3-9,14H2,1-2H3.
What are the key properties of N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine?
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 285.48 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 116506045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).