N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine

C10H15N3O2 — CID 61168630

IUPACN-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
SMILESCC(C)(C)CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-10(2,3)7-12-9-8(13(14)15)5-4-6-11-9/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyUZMDZLJBIQFLKJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.45
Rot. Bonds3

About N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine

N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine (PubChem CID 61168630) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
PubChem CID61168630
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
SMILESCC(C)(C)CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O2/c1-10(2,3)7-12-9-8(13(14)15)5-4-6-11-9/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyUZMDZLJBIQFLKJ-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'}

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Related Compounds

3-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293565
N-but-2-ynyl-3-nitropyridin-2-amine
CID 115869256
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723
N-methyl-3-nitropyridin-2-amine
CID 556349
N-tert-butyl-3-nitropyridin-2-amine;ethene
CID 144870417
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
N-[(4-methylsulfonylphenyl)methyl]-3-nitropyridin-2-amine
CID 60502817

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine (CID 61168630) is N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine is CC(C)(C)CNc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine?
The InChIKey is UZMDZLJBIQFLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)7-12-9-8(13(14)15)5-4-6-11-9/h4-6H,7H2,1-3H3,(H,11,12).
What are the key properties of N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine?
N-(2,2-dimethylpropyl)-3-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)-3-nitropyridin-2-amine is sourced from PubChem (CID 61168630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).