1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine

C12H17N3O2 — CID 66279858

IUPAC1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine
SMILESCNC(Cc1ncc(C)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H17N3O2/c1-8-5-12(15(16)17)11(14-7-8)6-10(13-2)9-3-4-9/h5,7,9-10,13H,3-4,6H2,1-2H3
InChIKeyLPUKMGMCZLPUOH-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.84
Rot. Bonds5

About 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine

1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine (PubChem CID 66279858) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine
PubChem CID66279858
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine
SMILESCNC(Cc1ncc(C)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H17N3O2/c1-8-5-12(15(16)17)11(14-7-8)6-10(13-2)9-3-4-9/h5,7,9-10,13H,3-4,6H2,1-2H3
InChIKeyLPUKMGMCZLPUOH-UHFFFAOYSA-N
XLogP1.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 55200912
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
(5-methyl-3-nitro-2-pyridinyl)methanamine;hydrochloride
CID 162421679
1-cyclopropyl-N-methyl-2-(2-methyl-6-nitrophenyl)ethanamine
CID 115554145
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 66278519
1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
CID 71144946
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
4-[(5-methyl-3-nitro-2-pyridinyl)methyl]aniline
CID 167495957
1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 63202365
1-cyclopropyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
CID 62600019
2,5-dimethyl-3-nitropyridine
CID 12626468

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine (CID 66279858) is 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine is CNC(Cc1ncc(C)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine?
The InChIKey is LPUKMGMCZLPUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-12(15(16)17)11(14-7-8)6-10(13-2)9-3-4-9/h5,7,9-10,13H,3-4,6H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine?
1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine has a molecular weight of 235.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-(5-methyl-3-nitro-2-pyridinyl)ethanamine is sourced from PubChem (CID 66279858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).