2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine

C13H20N4O2 — CID 80783377

IUPAC2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCC2CCCC2)n1
InChIInChI=1S/C13H20N4O2/c1-2-14-12-8-7-11(17(18)19)13(16-12)15-9-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,14,15,16)
InChIKeyWCLUXTIICADVFH-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.02
Rot. Bonds6

About 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine

2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine (PubChem CID 80783377) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
PubChem CID80783377
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
SMILESCCNc1ccc([N+](=O)[O-])c(NCC2CCCC2)n1
InChIInChI=1S/C13H20N4O2/c1-2-14-12-8-7-11(17(18)19)13(16-12)15-9-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,14,15,16)
InChIKeyWCLUXTIICADVFH-UHFFFAOYSA-N
XLogP3.02
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
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

6-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80790831
2-N-(2-cyclohexylethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80774924
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138108
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-(cyclopentylmethoxy)-N-ethyl-5-nitropyridin-2-amine
CID 80878288
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
1-cyclopropyl-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethanol
CID 80830213
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80901669
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 80842246

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine (CID 80783377) is 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine is CCNc1ccc([N+](=O)[O-])c(NCC2CCCC2)n1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine?
The InChIKey is WCLUXTIICADVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-14-12-8-7-11(17(18)19)13(16-12)15-9-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3,(H2,14,15,16).
What are the key properties of 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine?
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80783377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).