4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine

C13H20N4O2 — CID 81136058

IUPAC4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCc1ccc([N+](=O)[O-])c(N(C)C2CCC(N)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-9-3-8-12(17(18)19)13(15-9)16(2)11-6-4-10(14)5-7-11/h3,8,10-11H,4-7,14H2,1-2H3
InChIKeyLNCYAFZFIWFDHZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.00
Rot. Bonds3

About 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 81136058) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID81136058
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCc1ccc([N+](=O)[O-])c(N(C)C2CCC(N)CC2)n1
InChIInChI=1S/C13H20N4O2/c1-9-3-8-12(17(18)19)13(15-9)16(2)11-6-4-10(14)5-7-11/h3,8,10-11H,4-7,14H2,1-2H3
InChIKeyLNCYAFZFIWFDHZ-UHFFFAOYSA-N
XLogP2.00
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-N-methyl-4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 79115640
N-[2-(aminomethyl)cyclopentyl]-N,6-dimethyl-3-nitropyridin-2-amine
CID 81136340
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
2-N-methyl-3-nitro-2-N-(thiolan-3-yl)pyridine-2,6-diamine
CID 80783006
6-hydrazinyl-N-methyl-3-nitro-N-(oxolan-3-yl)pyridin-2-amine
CID 82747704
2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81137666
2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80820849
6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine
CID 61447300
4-N-ethyl-4-N-(3-methyl-4-nitrophenyl)cyclohexane-1,4-diamine
CID 79112418
6-methyl-3-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 81135778
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine (CID 81136058) is 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine is Cc1ccc([N+](=O)[O-])c(N(C)C2CCC(N)CC2)n1.
What is the InChIKey of 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is LNCYAFZFIWFDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-3-8-12(17(18)19)13(15-9)16(2)11-6-4-10(14)5-7-11/h3,8,10-11H,4-7,14H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 81136058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).