1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine

C16H24N2O2 — CID 62405360

IUPAC1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
SMILESCC(NC(C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H24N2O2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16(11-9-15)18(19)20/h8-14,17H,3-7H2,1-2H3
InChIKeyWZRROTLWHAKZDB-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.21
Rot. Bonds5

About 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine

1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine (PubChem CID 62405360) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
PubChem CID62405360
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
SMILESCC(NC(C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H24N2O2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16(11-9-15)18(19)20/h8-14,17H,3-7H2,1-2H3
InChIKeyWZRROTLWHAKZDB-UHFFFAOYSA-N
XLogP4.21
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 81387591
1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
N-[1-(4-nitrophenyl)ethyl]cyclopropanamine
CID 43297230
1-cyclohexyl-N-[(1S)-1-(4-fluorophenyl)ethyl]ethanamine
CID 81348448
4-[1-(1-cyclohexylethylamino)ethyl]phenol
CID 62405535
N-[1-(4-nitrophenyl)ethyl]-1-phenylethanamine
CID 43297246
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1R)-1-cyclohexyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 81384909
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-cyclohexyl-N-[1-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 43783226
(1S)-N-[1-(4-tert-butylphenyl)ethyl]-1-cyclopentylethanamine
CID 81386295

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine (CID 62405360) is 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine is CC(NC(C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine?
The InChIKey is WZRROTLWHAKZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(14-6-4-3-5-7-14)17-13(2)15-8-10-16(11-9-15)18(19)20/h8-14,17H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine?
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine is sourced from PubChem (CID 62405360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).