(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine

C16H24N2O2 — CID 81387591

IUPAC(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H24N2O2/c1-12(14-7-4-3-5-8-14)17-13(2)15-9-6-10-16(11-15)18(19)20/h6,9-14,17H,3-5,7-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyBPQXCJDPCPPOKP-UEWDXFNNSA-N
MW276.38 g/mol
LogP4.21
Rot. Bonds5

About (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine

(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine (PubChem CID 81387591) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
PubChem CID81387591
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
SMILESCC(N[C@@H](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H24N2O2/c1-12(14-7-4-3-5-8-14)17-13(2)15-9-6-10-16(11-15)18(19)20/h6,9-14,17H,3-5,7-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyBPQXCJDPCPPOKP-UEWDXFNNSA-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

1-cyclopentyl-N-[1-(3-nitrophenyl)ethyl]ethanamine
CID 55097157
1-cyclohexyl-N-[1-(4-nitrophenyl)ethyl]ethanamine
CID 62405360
1-(1-cyclobutylethyl)-3-nitrobenzene
CID 170732279
(S)-cyclopentyl-(3-nitrophenyl)methanamine
CID 131494278
(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
N-(cyclopropylmethyl)-1-(3-nitrophenyl)ethanamine
CID 43200769
2-cyclopropyl-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 115667947
(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198023
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
1-(3-nitrophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43181736
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
1-N-[1-(3-nitrophenyl)ethyl]cyclobutane-1,3-diamine
CID 80560865

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine (CID 81387591) is (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine is CC(N[C@@H](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine?
The InChIKey is BPQXCJDPCPPOKP-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(14-7-4-3-5-8-14)17-13(2)15-9-6-10-16(11-15)18(19)20/h6,9-14,17H,3-5,7-8H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine?
(1S)-1-cyclohexyl-N-[1-(3-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 (1S)-1-cyclohexyl-N-[1-(3-nitrophenyl)ethyl]ethanamine is sourced from PubChem (CID 81387591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).