N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine

C10H15N3O2 — CID 59380857

IUPACN-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
SMILESCC(C)(C)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)7-12-9-5-4-8(6-11-9)13(14)15/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyFGDKKJSOAALDRY-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.45
Rot. Bonds3

About N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine

N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine (PubChem CID 59380857) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
PubChem CID59380857
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
SMILESCC(C)(C)CNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)7-12-9-5-4-8(6-11-9)13(14)15/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyFGDKKJSOAALDRY-UHFFFAOYSA-N
XLogP2.45
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.45
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-(2,2-dimethylpropyl)-5-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-[[(5-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 62059734
2-(2-chlorophenyl)-1-[(5-nitro-2-pyridinyl)amino]propan-2-ol
CID 133472163
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-methyl-2-[(5-nitro-2-pyridinyl)amino]acetamide
CID 16960192
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine
CID 154776014
4-[(5-nitro-2-pyridinyl)amino]-2-phenylbutan-2-ol
CID 133495647
N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 102675378
5-nitro-N-[(1-propan-2-ylcyclopropyl)methyl]pyridin-2-amine
CID 103742874
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine (CID 59380857) is N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine is CC(C)(C)CNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine?
The InChIKey is FGDKKJSOAALDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)7-12-9-5-4-8(6-11-9)13(14)15/h4-6H,7H2,1-3H3,(H,11,12).
What are the key properties of N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine?
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine has a molecular weight of 209.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 59380857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).