N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine

C20H31N — CID 116507109

IUPACN-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1ccc(C2CCC2)cc1
InChIInChI=1S/C20H31N/c1-2-14-21-15-19-6-3-4-9-20(19)18-12-10-17(11-13-18)16-7-5-8-16/h10-13,16,19-21H,2-9,14-15H2,1H3
InChIKeyLLWGLQQIKTWJFV-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.23
Rot. Bonds6

About N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine

N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine (PubChem CID 116507109) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
PubChem CID116507109
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCC1c1ccc(C2CCC2)cc1
InChIInChI=1S/C20H31N/c1-2-14-21-15-19-6-3-4-9-20(19)18-12-10-17(11-13-18)16-7-5-8-16/h10-13,16,19-21H,2-9,14-15H2,1H3
InChIKeyLLWGLQQIKTWJFV-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-chlorophenyl)cyclohexyl]methyl]propan-1-amine
CID 81027108
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81026587
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
N-[[2-(5-methylthiophen-2-yl)cyclohexyl]methyl]propan-1-amine
CID 81027905
N-[[2-(5-methyl-3-pyridinyl)cyclohexyl]methyl]propan-1-amine
CID 115375664
N-[[2-(3-ethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81034647
N-[[2-(2,5-dimethylphenyl)cyclohexyl]methyl]propan-1-amine
CID 81027499
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026728
N-[(2-naphthalen-1-ylcyclopentyl)methyl]propan-1-amine
CID 81033533

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine (CID 116507109) is N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCCCC1c1ccc(C2CCC2)cc1.
What is the InChIKey of N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is LLWGLQQIKTWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-14-21-15-19-6-3-4-9-20(19)18-12-10-17(11-13-18)16-7-5-8-16/h10-13,16,19-21H,2-9,14-15H2,1H3.
What are the key properties of N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine?
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 116507109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).