2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine

C12H18N4O2 — CID 80774638

IUPAC2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(N(C)C2CCCC2)n1
InChIInChI=1S/C12H18N4O2/c1-13-11-8-7-10(16(17)18)12(14-11)15(2)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyFOXLCBFCXWQSBM-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.41
Rot. Bonds4

About 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine

2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine (PubChem CID 80774638) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
PubChem CID80774638
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
SMILESCNc1ccc([N+](=O)[O-])c(N(C)C2CCCC2)n1
InChIInChI=1S/C12H18N4O2/c1-13-11-8-7-10(16(17)18)12(14-11)15(2)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyFOXLCBFCXWQSBM-UHFFFAOYSA-N
XLogP2.41
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.41
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'}

Analyze 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine 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

2-N-cyclohexyl-6-N-ethyl-2-N-methyl-3-nitropyridine-2,6-diamine
CID 80761700
6-hydrazinyl-N-methyl-3-nitro-N-(oxolan-3-yl)pyridin-2-amine
CID 82747704
2-N-(4-methoxyphenyl)-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 71523739
6-N-ethyl-2-N-methyl-2-N-(2-methylcyclohexyl)-3-nitropyridine-2,6-diamine
CID 80788382
6-chloro-N-methyl-N-(3-methylcyclohexyl)-3-nitropyridin-2-amine
CID 61447300
4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 81136058
5-bromo-N-cyclohexyl-N-methyl-3-nitropyridin-2-amine
CID 61374136
2-[cyclopentyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80786969
3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
CID 80753426
2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
CID 80827369
1-methoxy-3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propan-2-ol
CID 80810495
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine (CID 80774638) is 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine is CNc1ccc([N+](=O)[O-])c(N(C)C2CCCC2)n1.
What is the InChIKey of 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine?
The InChIKey is FOXLCBFCXWQSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-11-8-7-10(16(17)18)12(14-11)15(2)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine?
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine has a molecular weight of 250.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80774638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).