N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline

C16H22N2O2 — CID 64594683

IUPACN-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C16H22N2O2/c1-11-9-15(18(19)20)7-8-16(11)17-14-4-2-3-13(10-14)12-5-6-12/h7-9,12-14,17H,2-6,10H2,1H3
InChIKeyYNCWXUWGBSUVCZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.28
Rot. Bonds4

About N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline

N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline (PubChem CID 64594683) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
PubChem CID64594683
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])ccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C16H22N2O2/c1-11-9-15(18(19)20)7-8-16(11)17-14-4-2-3-13(10-14)12-5-6-12/h7-9,12-14,17H,2-6,10H2,1H3
InChIKeyYNCWXUWGBSUVCZ-UHFFFAOYSA-N
XLogP4.28
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.28
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 N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline 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

N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 103145183
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
N-(2-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
N-(3-cyclopropylcyclohexyl)-4-iodo-2-methylaniline
CID 64594666
1-N,3-N-bis(2,4-dinitrophenyl)cyclohexane-1,3-diamine
CID 155539944
1-N-(2-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458653
N-(4-tert-butylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719899
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
N-(3-cyclopropylcyclohexyl)-4-methoxy-2-methylaniline
CID 64624422
1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 133348599
2-(2-methyl-4-nitroanilino)cyclohexan-1-ol
CID 62359446

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline (CID 64594683) is N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline is Cc1cc([N+](=O)[O-])ccc1NC1CCCC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline?
The InChIKey is YNCWXUWGBSUVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-9-15(18(19)20)7-8-16(11)17-14-4-2-3-13(10-14)12-5-6-12/h7-9,12-14,17H,2-6,10H2,1H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline?
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline has a molecular weight of 274.36 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline is sourced from PubChem (CID 64594683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).