N-(2-methyl-2-nitropropyl)pyridin-3-amine

C9H13N3O2 — CID 170985583

IUPACN-(2-methyl-2-nitropropyl)pyridin-3-amine
SMILESCC(C)(CNc1cccnc1)[N+](=O)[O-]
InChIInChI=1S/C9H13N3O2/c1-9(2,12(13)14)7-11-8-4-3-5-10-6-8/h3-6,11H,7H2,1-2H3
InChIKeyKLOVEVRBBUIZMN-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.55
Rot. Bonds4

About N-(2-methyl-2-nitropropyl)pyridin-3-amine

N-(2-methyl-2-nitropropyl)pyridin-3-amine (PubChem CID 170985583) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(2-methyl-2-nitropropyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2-methyl-2-nitropropyl)pyridin-3-amine
PubChem CID170985583
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(2-methyl-2-nitropropyl)pyridin-3-amine
SMILESCC(C)(CNc1cccnc1)[N+](=O)[O-]
InChIInChI=1S/C9H13N3O2/c1-9(2,12(13)14)7-11-8-4-3-5-10-6-8/h3-6,11H,7H2,1-2H3
InChIKeyKLOVEVRBBUIZMN-UHFFFAOYSA-N
XLogP1.55
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.55
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

N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
(pyridin-3-ylamino)methanesulfinate
CID 174523358
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
CID 10944780
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
2-(pyridin-3-ylamino)acetonitrile
CID 24972763
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834
ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine
CID 82538489

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-nitropropyl)pyridin-3-amine?
The IUPAC name of N-(2-methyl-2-nitropropyl)pyridin-3-amine (CID 170985583) is N-(2-methyl-2-nitropropyl)pyridin-3-amine.
What is the SMILES notation for N-(2-methyl-2-nitropropyl)pyridin-3-amine?
The canonical SMILES for N-(2-methyl-2-nitropropyl)pyridin-3-amine is CC(C)(CNc1cccnc1)[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-2-nitropropyl)pyridin-3-amine?
The InChIKey is KLOVEVRBBUIZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2,12(13)14)7-11-8-4-3-5-10-6-8/h3-6,11H,7H2,1-2H3.
What are the key properties of N-(2-methyl-2-nitropropyl)pyridin-3-amine?
N-(2-methyl-2-nitropropyl)pyridin-3-amine has a molecular weight of 195.22 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-nitropropyl)pyridin-3-amine is sourced from PubChem (CID 170985583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).