N-(2-cyclohexylethyl)-1-phenylhexan-1-amine

C20H33N — CID 63450485

IUPACN-(2-cyclohexylethyl)-1-phenylhexan-1-amine
SMILESCCCCCC(NCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H33N/c1-2-3-6-15-20(19-13-9-5-10-14-19)21-17-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20-21H,2-4,6-8,11-12,15-17H2,1H3
InChIKeyKDALAQHZNHTFMJ-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.87
Rot. Bonds9

About N-(2-cyclohexylethyl)-1-phenylhexan-1-amine

N-(2-cyclohexylethyl)-1-phenylhexan-1-amine (PubChem CID 63450485) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-1-phenylhexan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-1-phenylhexan-1-amine
PubChem CID63450485
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-(2-cyclohexylethyl)-1-phenylhexan-1-amine
SMILESCCCCCC(NCCC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H33N/c1-2-3-6-15-20(19-13-9-5-10-14-19)21-17-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20-21H,2-4,6-8,11-12,15-17H2,1H3
InChIKeyKDALAQHZNHTFMJ-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.87
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

3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N-(3-cyclopentylpropyl)-1-phenylbutan-1-amine
CID 106008352
N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 63448264
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(2-cyclohexylethyl)-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 63448133
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
2-[(1-phenylhexylamino)methyl]cyclohexan-1-ol
CID 64929462
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
4-(1-phenylhexylamino)butan-2-ol
CID 64910713

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-1-phenylhexan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-1-phenylhexan-1-amine (CID 63450485) is N-(2-cyclohexylethyl)-1-phenylhexan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-1-phenylhexan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-1-phenylhexan-1-amine is CCCCCC(NCCC1CCCCC1)c1ccccc1.
What is the InChIKey of N-(2-cyclohexylethyl)-1-phenylhexan-1-amine?
The InChIKey is KDALAQHZNHTFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-2-3-6-15-20(19-13-9-5-10-14-19)21-17-16-18-11-7-4-8-12-18/h5,9-10,13-14,18,20-21H,2-4,6-8,11-12,15-17H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-1-phenylhexan-1-amine?
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-1-phenylhexan-1-amine is sourced from PubChem (CID 63450485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).