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

C14H20N2O2 — CID 65419636

IUPAC4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H20N2O2/c1-11-5-7-14(15,8-6-11)10-12-3-2-4-13(9-12)16(17)18/h2-4,9,11H,5-8,10,15H2,1H3
InChIKeyCMCVFVBOBCLKBO-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.04
Rot. Bonds3

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

4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine (PubChem CID 65419636) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine
PubChem CID65419636
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCC1CCC(N)(Cc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H20N2O2/c1-11-5-7-14(15,8-6-11)10-12-3-2-4-13(9-12)16(17)18/h2-4,9,11H,5-8,10,15H2,1H3
InChIKeyCMCVFVBOBCLKBO-UHFFFAOYSA-N
XLogP3.04
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.04
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'}

Analyze 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methoxy-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 81166533
3-methyl-1-[(3-nitrophenyl)methyl]cyclopentane-1-carbonitrile
CID 65403077
3-methyl-1-[(4-nitrophenyl)methyl]cyclopentan-1-amine
CID 65420076
1-[(3-bromophenyl)methyl]-4-methylcyclohexan-1-amine
CID 60799051
3-[(3-nitrophenyl)methyl]oxan-3-amine
CID 65019941
[3-methyl-1-[(3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62553332
1-[(2-bromo-4-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 65420517
2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol
CID 65395268
4-methyl-1-[(3-nitroanilino)methyl]cyclohexan-1-ol
CID 65118172
1-[(4-nitrophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 65421598
N-[(1-methylcyclohexyl)methyl]-1-(3-nitrophenyl)methanamine
CID 103753070
1-[(3-nitrophenyl)methoxymethyl]cyclopentan-1-amine
CID 64571808

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine (CID 65419636) is 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine is CC1CCC(N)(Cc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine?
The InChIKey is CMCVFVBOBCLKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-5-7-14(15,8-6-11)10-12-3-2-4-13(9-12)16(17)18/h2-4,9,11H,5-8,10,15H2,1H3.
What are the key properties of 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine?
4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine has a molecular weight of 248.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65419636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).