4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine

C11H16N4O2 — CID 62318502

IUPAC4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccncc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H16N4O2/c12-8-1-3-9(4-2-8)14-10-5-6-13-7-11(10)15(16)17/h5-9H,1-4,12H2,(H,13,14)
InChIKeyZJCXXAQJOHJNQH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.67
Rot. Bonds3

About 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine

4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 62318502) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
PubChem CID62318502
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccncc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H16N4O2/c12-8-1-3-9(4-2-8)14-10-5-6-13-7-11(10)15(16)17/h5-9H,1-4,12H2,(H,13,14)
InChIKeyZJCXXAQJOHJNQH-UHFFFAOYSA-N
XLogP1.67
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.67
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

3-nitro-N-piperidin-4-ylpyridin-4-amine
CID 43167668
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938
methyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 59465527
ethyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 23374509
4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine
CID 104776650
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
N-(3-nitro-4-pyridinyl)formamide
CID 174895660
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517
4-chloro-3-nitropyridine;cyclopropanamine;1-cyclopropyl-3H-imidazo[4,5-c]pyridin-2-one;N-cyclopropyl-3-nitropyridin-4-amine;4-N-cyclopropylpyridine-3,4-diamine;ethanol
CID 158937382
tert-butyl 3-[(3-nitro-4-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 129032001
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine (CID 62318502) is 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine is NC1CCC(Nc2ccncc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is ZJCXXAQJOHJNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-8-1-3-9(4-2-8)14-10-5-6-13-7-11(10)15(16)17/h5-9H,1-4,12H2,(H,13,14).
What are the key properties of 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine?
4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 236.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62318502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).