6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine

C12H18N4O2 — CID 79815469

IUPAC6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
SMILESCC(Nc1ccc([N+](=O)[O-])c(N)n1)C1CCCC1
InChIInChI=1S/C12H18N4O2/c1-8(9-4-2-3-5-9)14-11-7-6-10(16(17)18)12(13)15-11/h6-9H,2-5H2,1H3,(H3,13,14,15)
InChIKeyVJZDMSRHFISNAK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.56
Rot. Bonds4

About 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine

6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine (PubChem CID 79815469) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
PubChem CID79815469
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
SMILESCC(Nc1ccc([N+](=O)[O-])c(N)n1)C1CCCC1
InChIInChI=1S/C12H18N4O2/c1-8(9-4-2-3-5-9)14-11-7-6-10(16(17)18)12(13)15-11/h6-9H,2-5H2,1H3,(H3,13,14,15)
InChIKeyVJZDMSRHFISNAK-UHFFFAOYSA-N
XLogP2.56
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.56
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-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301
N-(1-cyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80718382
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
6-chloro-N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 63549430
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114176414
N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267136
6-N-[2-(cycloheptylamino)ethyl]-3-nitropyridine-2,6-diamine
CID 115306741
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
6-N-[1-(oxan-4-yl)ethyl]pyridine-2,3,6-triamine
CID 114115082
3-chloro-N-(1-cyclohexylethyl)-4-nitroaniline
CID 82864806
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine (CID 79815469) is 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine is CC(Nc1ccc([N+](=O)[O-])c(N)n1)C1CCCC1.
What is the InChIKey of 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine?
The InChIKey is VJZDMSRHFISNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(9-4-2-3-5-9)14-11-7-6-10(16(17)18)12(13)15-11/h6-9H,2-5H2,1H3,(H3,13,14,15).
What are the key properties of 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine?
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine has a molecular weight of 250.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 79815469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).