3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine

C15H22N2O2 — CID 65422470

IUPAC3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCCC(N)(Cc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H22N2O2/c1-2-12-4-3-9-15(16,10-12)11-13-5-7-14(8-6-13)17(18)19/h5-8,12H,2-4,9-11,16H2,1H3
InChIKeyYNIKJPDMBMZMQZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.43
Rot. Bonds4

About 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine

3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine (PubChem CID 65422470) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
PubChem CID65422470
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCCC1CCCC(N)(Cc2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H22N2O2/c1-2-12-4-3-9-15(16,10-12)11-13-5-7-14(8-6-13)17(18)19/h5-8,12H,2-4,9-11,16H2,1H3
InChIKeyYNIKJPDMBMZMQZ-UHFFFAOYSA-N
XLogP3.43
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.43
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

3-methyl-1-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 65420076
4,4-dimethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine
CID 65420529
1-[(4-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 65421598
3-methyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420937
1-[(4-chloro-3-fluorophenyl)methyl]-3-ethylcyclohexan-1-amine
CID 114012587
1-[(4-tert-butylphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64513179
4-ethyl-1-[(4-fluorophenyl)methyl]cycloheptan-1-amine
CID 65082624
[3-ethyl-1-[(3-fluoro-5-nitrophenyl)methyl]cyclohexyl]methanamine
CID 115981564
2-[(4-nitrophenyl)methyl]-1,3-dihydroinden-2-amine
CID 65421595
4,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]cyclohexan-1-amine
CID 65420963
1-[(2-methoxy-5-nitrophenyl)methyl]-3-methylcyclohexan-1-amine
CID 65421156
1-(4-nitrophenyl)-3-propylcyclobutan-1-amine
CID 103193832

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine (CID 65422470) is 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine is CCC1CCCC(N)(Cc2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine?
The InChIKey is YNIKJPDMBMZMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-12-4-3-9-15(16,10-12)11-13-5-7-14(8-6-13)17(18)19/h5-8,12H,2-4,9-11,16H2,1H3.
What are the key properties of 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine?
3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-nitrophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65422470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).