1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine

C14H22N4O2 — CID 115309514

IUPAC1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1ccnc(NC(CN)C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-10-7-8-16-14(13(10)18(19)20)17-12(9-15)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyHRHCXVQRXVKZDX-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.62
Rot. Bonds5

About 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine

1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 115309514) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID115309514
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCc1ccnc(NC(CN)C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-10-7-8-16-14(13(10)18(19)20)17-12(9-15)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyHRHCXVQRXVKZDX-UHFFFAOYSA-N
XLogP2.62
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.62
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'}

Analyze 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 65193961
1-cyclohexyl-N-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309440
1-cyclopentyl-2-[(4-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 133306955
1-cyclopentyl-N-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106738165
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
N-(2-amino-1-cyclopentylethyl)-3,6-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120713687
1-cyclohexyl-N-(5-nitropyrimidin-2-yl)ethane-1,2-diamine
CID 115309590
1-cyclohexyl-N-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115309542
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine
CID 115309017
2-[(2-amino-1-cyclohexylethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061374
1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115309530

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 115309514) is 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine is Cc1ccnc(NC(CN)C2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is HRHCXVQRXVKZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-7-8-16-14(13(10)18(19)20)17-12(9-15)11-5-3-2-4-6-11/h7-8,11-12H,2-6,9,15H2,1H3,(H,16,17).
What are the key properties of 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(4-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 115309514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).