6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine

C12H18N4O3 — CID 79815858

IUPAC6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
SMILESNc1nc(NCCOC2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c13-12-10(16(17)18)5-6-11(15-12)14-7-8-19-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H3,13,14,15)
InChIKeyKOJBOCRNPJIBIY-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.94
Rot. Bonds6

About 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine

6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine (PubChem CID 79815858) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
PubChem CID79815858
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
SMILESNc1nc(NCCOC2CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O3/c13-12-10(16(17)18)5-6-11(15-12)14-7-8-19-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H3,13,14,15)
InChIKeyKOJBOCRNPJIBIY-UHFFFAOYSA-N
XLogP1.94
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
CID 115306741
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
N-(2-cyclopentyloxyethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138260
6-chloro-N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 63833190
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
6-N-(2-cyclopentyloxyethyl)pyridine-2,6-diamine
CID 80647858
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79827901
2-N-(2-cyclopentyloxyethyl)-6-methoxypyridine-2,5-diamine
CID 63826021
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 79825482

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine (CID 79815858) is 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine is Nc1nc(NCCOC2CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine?
The InChIKey is KOJBOCRNPJIBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-12-10(16(17)18)5-6-11(15-12)14-7-8-19-9-3-1-2-4-9/h5-6,9H,1-4,7-8H2,(H3,13,14,15).
What are the key properties of 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine?
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine has a molecular weight of 266.30 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 79815858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).