N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline

C15H22N2O2 — CID 64762432

IUPACN-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1NC1CC(C)CCC1C
InChIInChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(8-10)16-15-9-13(17(18)19)7-6-12(15)3/h6-7,9-11,14,16H,4-5,8H2,1-3H3
InChIKeyMWQVCYNJWXSMNY-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.14
Rot. Bonds3

About N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline

N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline (PubChem CID 64762432) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
PubChem CID64762432
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
SMILESCc1ccc([N+](=O)[O-])cc1NC1CC(C)CCC1C
InChIInChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(8-10)16-15-9-13(17(18)19)7-6-12(15)3/h6-7,9-11,14,16H,4-5,8H2,1-3H3
InChIKeyMWQVCYNJWXSMNY-UHFFFAOYSA-N
XLogP4.14
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.14
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

N-(2,5-dimethylcyclohexyl)-2-fluoro-4-nitroaniline
CID 64762309
1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 43718577
3-methyl-N-(2-methyl-5-nitrophenyl)oxan-4-amine
CID 114240471
N-(2-methoxycyclopentyl)-2-methyl-5-nitroaniline
CID 62589032
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
CID 64762636
2-fluoro-N-(5-methyl-2-propan-2-ylcyclohexyl)-5-nitroaniline
CID 43719065
N-(2-methyl-5-nitrophenyl)adamantan-2-amine
CID 43718569
2-fluoro-N-(3-methylcyclopentyl)-5-nitroaniline
CID 64501710
1-N-(2-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458653
1-[(1S,2R)-2-methylcyclohexyl]-3-(2-methyl-5-nitrophenyl)thiourea
CID 8620245
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline (CID 64762432) is N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline is Cc1ccc([N+](=O)[O-])cc1NC1CC(C)CCC1C.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline?
The InChIKey is MWQVCYNJWXSMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-5-11(2)14(8-10)16-15-9-13(17(18)19)7-6-12(15)3/h6-7,9-11,14,16H,4-5,8H2,1-3H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline?
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline has a molecular weight of 262.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline is sourced from PubChem (CID 64762432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).