6-N-cycloheptyl-3-nitropyridine-2,6-diamine

C12H18N4O2 — CID 79826518

IUPAC6-N-cycloheptyl-3-nitropyridine-2,6-diamine
SMILESNc1nc(NC2CCCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c13-12-10(16(17)18)7-8-11(15-12)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H3,13,14,15)
InChIKeyHFCRPFBWHWLQGG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.71
Rot. Bonds3

About 6-N-cycloheptyl-3-nitropyridine-2,6-diamine

6-N-cycloheptyl-3-nitropyridine-2,6-diamine (PubChem CID 79826518) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-N-cycloheptyl-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cycloheptyl-3-nitropyridine-2,6-diamine
PubChem CID79826518
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-N-cycloheptyl-3-nitropyridine-2,6-diamine
SMILESNc1nc(NC2CCCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c13-12-10(16(17)18)7-8-11(15-12)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H3,13,14,15)
InChIKeyHFCRPFBWHWLQGG-UHFFFAOYSA-N
XLogP2.71
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.71
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-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
CID 115306741
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
2-[4-[(6-amino-5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 79825671
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-nitropyridine-2,6-diamine
CID 79825880
6-N-cyclohexylpyridine-2,3,6-triamine
CID 79823249
6-N-(2-cyclopentyloxyethyl)-3-nitropyridine-2,6-diamine
CID 79815858
2-[(6-amino-5-nitro-2-pyridinyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763286
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79827901

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-cycloheptyl-3-nitropyridine-2,6-diamine (CID 79826518) is 6-N-cycloheptyl-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-cycloheptyl-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-cycloheptyl-3-nitropyridine-2,6-diamine is Nc1nc(NC2CCCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-cycloheptyl-3-nitropyridine-2,6-diamine?
The InChIKey is HFCRPFBWHWLQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-12-10(16(17)18)7-8-11(15-12)14-9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H3,13,14,15).
What are the key properties of 6-N-cycloheptyl-3-nitropyridine-2,6-diamine?
6-N-cycloheptyl-3-nitropyridine-2,6-diamine has a molecular weight of 250.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 79826518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).