N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine

C12H19N3O2 — CID 83267138

IUPACN-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NCC(C)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O2/c1-8(2)9(3)6-13-12-5-11(15(16)17)10(4)7-14-12/h5,7-9H,6H2,1-4H3,(H,13,14)
InChIKeyWIJUMJIAHWPLBT-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.00
Rot. Bonds5

About N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine

N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine (PubChem CID 83267138) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine
PubChem CID83267138
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NCC(C)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H19N3O2/c1-8(2)9(3)6-13-12-5-11(15(16)17)10(4)7-14-12/h5,7-9H,6H2,1-4H3,(H,13,14)
InChIKeyWIJUMJIAHWPLBT-UHFFFAOYSA-N
XLogP3.00
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.00
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'}

Analyze N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine 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

3-methyl-2-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 83269700
4,4-dimethyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107153110
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-methyl-2-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]pentanoic acid
CID 83269002
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 83266893
3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115637
2-N-(2,3-dimethylbutyl)-5-methylpyridine-2,4-diamine
CID 83266034
5-methyl-N-(7-methyloctyl)-4-nitropyridin-2-amine
CID 107816181
4-methyl-N-(2-methylbutyl)-5-nitropyridin-2-amine
CID 79176219
N-(cyclopropylmethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267584
2-[(5-methyl-4-nitro-2-pyridinyl)amino]acetamide
CID 83267356
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine (CID 83267138) is N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine is Cc1cnc(NCC(C)C(C)C)cc1[N+](=O)[O-].
What is the InChIKey of N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine?
The InChIKey is WIJUMJIAHWPLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)9(3)6-13-12-5-11(15(16)17)10(4)7-14-12/h5,7-9H,6H2,1-4H3,(H,13,14).
What are the key properties of N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine?
N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine has a molecular weight of 237.30 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83267138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).