N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine

C20H33N — CID 63503869

IUPACN-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCCc1ccc(C(NCCC)C2CCCCC2)cc1
InChIInChI=1S/C20H33N/c1-3-5-9-17-12-14-19(15-13-17)20(21-16-4-2)18-10-7-6-8-11-18/h12-15,18,20-21H,3-11,16H2,1-2H3
InChIKeyWPPSLKXKCNDOAC-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.65
Rot. Bonds8

About N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine

N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine (PubChem CID 63503869) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
PubChem CID63503869
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
SMILESCCCCc1ccc(C(NCCC)C2CCCCC2)cc1
InChIInChI=1S/C20H33N/c1-3-5-9-17-12-14-19(15-13-17)20(21-16-4-2)18-10-7-6-8-11-18/h12-15,18,20-21H,3-11,16H2,1-2H3
InChIKeyWPPSLKXKCNDOAC-UHFFFAOYSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
N-[1-(4-butylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 103162968
4-[butylamino(cyclopentyl)methyl]-N,N-dimethylaniline
CID 11140320
N-[cyclohexyl(thiophen-3-yl)methyl]propan-1-amine
CID 60819375
N-[cyclooctyl(thiophen-3-yl)methyl]propan-1-amine
CID 80611349
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine?
The IUPAC name of N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine (CID 63503869) is N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine is CCCCc1ccc(C(NCCC)C2CCCCC2)cc1.
What is the InChIKey of N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine?
The InChIKey is WPPSLKXKCNDOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-5-9-17-12-14-19(15-13-17)20(21-16-4-2)18-10-7-6-8-11-18/h12-15,18,20-21H,3-11,16H2,1-2H3.
What are the key properties of N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine?
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine is sourced from PubChem (CID 63503869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).