N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline

C17H24N2O2 — CID 103145183

IUPACN-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C17H24N2O2/c1-11-9-17(19(20)21)12(2)8-16(11)18-15-5-3-4-14(10-15)13-6-7-13/h8-9,13-15,18H,3-7,10H2,1-2H3
InChIKeyUZCKYKVMBJUPQR-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.59
Rot. Bonds4

About N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline

N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline (PubChem CID 103145183) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
PubChem CID103145183
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C17H24N2O2/c1-11-9-17(19(20)21)12(2)8-16(11)18-15-5-3-4-14(10-15)13-6-7-13/h8-9,13-15,18H,3-7,10H2,1-2H3
InChIKeyUZCKYKVMBJUPQR-UHFFFAOYSA-N
XLogP4.59
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.59
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-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683
N-(2,5-dimethyl-4-nitrophenyl)-1-methylazepan-4-amine
CID 103144841
N-(2,5-dimethyl-4-nitrophenyl)azetidin-3-amine
CID 103144891
5-chloro-N-(3-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555954
N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
2,5-dimethyl-4-nitro-N-(4-propylcyclohexyl)aniline
CID 103145164
N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine
CID 104757390
1-N-(2-bromo-4-methyl-5-nitrophenyl)cyclohexane-1,3-diamine
CID 104814980
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
N-(2,4-dimethyl-5-nitrophenyl)-1-methylazepan-4-amine
CID 104757350
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline (CID 103145183) is N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline is Cc1cc([N+](=O)[O-])c(C)cc1NC1CCCC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline?
The InChIKey is UZCKYKVMBJUPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-9-17(19(20)21)12(2)8-16(11)18-15-5-3-4-14(10-15)13-6-7-13/h8-9,13-15,18H,3-7,10H2,1-2H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline?
N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline has a molecular weight of 288.39 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-2,5-dimethyl-4-nitroaniline is sourced from PubChem (CID 103145183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).