N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine

C14H21N3O2 — CID 81139047

IUPACN-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2CCCCC2(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-10-7-8-11(17(18)19)13(15-10)16-12-6-4-5-9-14(12,2)3/h7-8,12H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyIVJRCHCBNZWRGW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.68
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine

N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine (PubChem CID 81139047) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine
PubChem CID81139047
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NC2CCCCC2(C)C)n1
InChIInChI=1S/C14H21N3O2/c1-10-7-8-11(17(18)19)13(15-10)16-12-6-4-5-9-14(12,2)3/h7-8,12H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyIVJRCHCBNZWRGW-UHFFFAOYSA-N
XLogP3.68
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[(2,2-dimethylcyclohexyl)amino]-6-methylpyridine-3-carboxylic acid
CID 79872245
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
CID 104695781
6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline
CID 79870217
1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
CID 81135844
N-(2,2-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 79828651
N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
CID 81135916
N-(2,2-dimethylcyclohexyl)-2,4-difluoro-5-nitroaniline
CID 79828572
N-(2,2-dimethylcyclopentyl)-2-methyl-3-nitroaniline
CID 79859590
N-(6-chloro-3-nitro-2-pyridinyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107186554
N-(2,2-dimethylcyclohexyl)-3-ethoxy-4-nitroaniline
CID 79870902
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine (CID 81139047) is N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NC2CCCCC2(C)C)n1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine?
The InChIKey is IVJRCHCBNZWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-8-11(17(18)19)13(15-10)16-12-6-4-5-9-14(12,2)3/h7-8,12H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine?
N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-6-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 81139047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).