4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine

C15H22N2O2 — CID 43508989

IUPAC4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCc1c(CNC2CCC(C)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O2/c1-11-6-8-14(9-7-11)16-10-13-4-3-5-15(12(13)2)17(18)19/h3-5,11,14,16H,6-10H2,1-2H3
InChIKeyYDRYCLHYOONHEI-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.57
Rot. Bonds4

About 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine

4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine (PubChem CID 43508989) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
PubChem CID43508989
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
SMILESCc1c(CNC2CCC(C)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O2/c1-11-6-8-14(9-7-11)16-10-13-4-3-5-15(12(13)2)17(18)19/h3-5,11,14,16H,6-10H2,1-2H3
InChIKeyYDRYCLHYOONHEI-UHFFFAOYSA-N
XLogP3.57
TPSA55.17 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 ≤ 53.57
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-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 103114661
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 107349489
N-[(2-bromo-3-nitrophenyl)methyl]-3-methylcyclopentan-1-amine
CID 114048779
[4-methyl-1-[(2-methyl-3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62552844
4-[(2-methyl-3-nitrophenyl)methylamino]azepan-2-one
CID 103114777
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
1,3-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine
CID 114503511
2,4,4-trimethyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine
CID 103114591
2,2-dimethyl-3-[(2-methyl-3-nitrophenyl)methylamino]cyclobutan-1-ol
CID 114629537
1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 62406103
(1R)-1-cyclohexyl-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 81385412
N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine
CID 43509035

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine (CID 43508989) is 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine is Cc1c(CNC2CCC(C)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine?
The InChIKey is YDRYCLHYOONHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-6-8-14(9-7-11)16-10-13-4-3-5-15(12(13)2)17(18)19/h3-5,11,14,16H,6-10H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine?
4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43508989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).