4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine

C11H16N4O2 — CID 22591359

IUPAC4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H16N4O2/c12-8-1-3-9(4-2-8)14-11-6-5-10(7-13-11)15(16)17/h5-9H,1-4,12H2,(H,13,14)
InChIKeyVEPJDHDKXNUJLM-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.67
Rot. Bonds3

About 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine

4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 22591359) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID22591359
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H16N4O2/c12-8-1-3-9(4-2-8)14-11-6-5-10(7-13-11)15(16)17/h5-9H,1-4,12H2,(H,13,14)
InChIKeyVEPJDHDKXNUJLM-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

N-methyl-4-[(5-nitro-2-pyridinyl)amino]cyclohexane-1-carboxamide
CID 47470181
N-[2-(4-aminocyclohexyl)oxyethyl]-5-nitropyridin-2-amine
CID 63870865
5-nitro-N-(1-propylpiperidin-4-yl)pyridin-2-amine
CID 60667091
6-[(4-aminocyclohexyl)amino]pyridine-3-sulfonamide
CID 62321102
N-(2,2-dimethyloxan-4-yl)-5-nitropyridin-2-amine
CID 113336591
N-(3-ethylsulfanylcyclopentyl)-5-nitropyridin-2-amine
CID 113244226
4-N-(5-fluoro-2-pyridinyl)cyclohexane-1,4-diamine
CID 62312959
5-nitro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyridin-2-amine
CID 133305273
N-(2-methylcyclopropyl)-5-nitropyridin-2-amine
CID 62397740
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 32884003

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine (CID 22591359) is 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine is NC1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is VEPJDHDKXNUJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-8-1-3-9(4-2-8)14-11-6-5-10(7-13-11)15(16)17/h5-9H,1-4,12H2,(H,13,14).
What are the key properties of 4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
4-N-(5-nitro-2-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-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 22591359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).