6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine

C13H18ClN3O2 — CID 61447300

IUPAC6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine
SMILESCC1CCCC(N(C)c2nc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H18ClN3O2/c1-9-4-3-5-10(8-9)16(2)13-11(17(18)19)6-7-12(14)15-13/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyYKKGDCJDLUUAJX-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.66
Rot. Bonds3

About 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine

6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine (PubChem CID 61447300) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine
PubChem CID61447300
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine
SMILESCC1CCCC(N(C)c2nc(Cl)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H18ClN3O2/c1-9-4-3-5-10(8-9)16(2)13-11(17(18)19)6-7-12(14)15-13/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyYKKGDCJDLUUAJX-UHFFFAOYSA-N
XLogP3.66
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
[4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol
CID 61446253
6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435734
2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80820849
6-chloro-N-(3,5-dimethylphenyl)-N-methyl-3-nitropyridin-2-amine
CID 62004028
4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 81136058
3-(chloromethyl)-N-methyl-N-(3-methylcyclohexyl)isoquinolin-1-amine
CID 63446295
2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 80783006
6-[methyl-(1-methylpiperidin-3-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 114404042
2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine
CID 102824064
1-(6-chloro-3-nitro-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 55158602

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine (CID 61447300) is 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine is CC1CCCC(N(C)c2nc(Cl)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine?
The InChIKey is YKKGDCJDLUUAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-9-4-3-5-10(8-9)16(2)13-11(17(18)19)6-7-12(14)15-13/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine?
6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine has a molecular weight of 283.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 61447300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).