N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine

C12H15N3O2 — CID 79177090

IUPACN-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NC2CC=CCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O2/c1-9-7-12(13-8-11(9)15(16)17)14-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6H2,1H3,(H,13,14)
InChIKeyBRSZJNQNMGEANS-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.82
Rot. Bonds3

About N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine

N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine (PubChem CID 79177090) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
PubChem CID79177090
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(NC2CC=CCC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O2/c1-9-7-12(13-8-11(9)15(16)17)14-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6H2,1H3,(H,13,14)
InChIKeyBRSZJNQNMGEANS-UHFFFAOYSA-N
XLogP2.82
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
CID 79176344
9-methyl-N-(4-methyl-5-nitro-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79165263
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
CID 75455179
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 133339717
4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine
CID 103718501
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060
N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine
CID 103964104
N-(1-ethylpiperidin-4-yl)-5-methyl-4-nitropyridin-2-amine
CID 83268812
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 133343778
3-methoxy-1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
CID 133376904

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine (CID 79177090) is N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine is Cc1cc(NC2CC=CCC2)ncc1[N+](=O)[O-].
What is the InChIKey of N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine?
The InChIKey is BRSZJNQNMGEANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-7-12(13-8-11(9)15(16)17)14-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6H2,1H3,(H,13,14).
What are the key properties of N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine?
N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine has a molecular weight of 233.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 79177090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).