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

C20H31N — CID 116507110

IUPACN-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1c1ccc(C2CCC2)cc1
InChIInChI=1S/C20H31N/c1-15(2)21-14-19-6-3-4-9-20(19)18-12-10-17(11-13-18)16-7-5-8-16/h10-13,15-16,19-21H,3-9,14H2,1-2H3
InChIKeyZSYURCFTAUYCQT-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.23
Rot. Bonds5

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

N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 116507110) 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-2-amine.

Molecular Properties

Compound NameN-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
PubChem CID116507110
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC NameN-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1c1ccc(C2CCC2)cc1
InChIInChI=1S/C20H31N/c1-15(2)21-14-19-6-3-4-9-20(19)18-12-10-17(11-13-18)16-7-5-8-16/h10-13,15-16,19-21H,3-9,14H2,1-2H3
InChIKeyZSYURCFTAUYCQT-UHFFFAOYSA-N
XLogP5.23
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 ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034049
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024326
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
CID 81028814
N-[[2-(1-methylpyrazol-4-yl)cyclopentyl]methyl]propan-2-amine
CID 81034337
N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81026774
N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine
CID 81033561
N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81034048

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine (CID 116507110) is N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCCCC1c1ccc(C2CCC2)cc1.
What is the InChIKey of N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is ZSYURCFTAUYCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-15(2)21-14-19-6-3-4-9-20(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-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 285.48 g/mol, XLogP of 5.23, 5 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-2-amine is sourced from PubChem (CID 116507110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).