N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine

C12H19N3O2 — CID 55161032

IUPACN,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
SMILESCNC(C)C(c1ncccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)11(9(3)13-4)12-10(15(16)17)6-5-7-14-12/h5-9,11,13H,1-4H3
InChIKeyJCZHKUXBUXNXRX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.34
Rot. Bonds5

About N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine

N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine (PubChem CID 55161032) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
PubChem CID55161032
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
SMILESCNC(C)C(c1ncccc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C12H19N3O2/c1-8(2)11(9(3)13-4)12-10(15(16)17)6-5-7-14-12/h5-9,11,13H,1-4H3
InChIKeyJCZHKUXBUXNXRX-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-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

4-methyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 63197530
N-methyl-3-nitropyridin-2-amine
CID 556349
N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine
CID 63199554
2-(3-nitro-2-pyridinyl)-N-propylpentan-3-amine
CID 63562255
ethyl 2-(3-nitro-2-pyridinyl)-2-sulfanylacetate
CID 139643971
3-(4-chloro-2-nitrophenyl)-N,4-dimethylpentan-2-amine
CID 63198061
3-(3-nitro-2-pyridinyl)pentan-2-one
CID 63196316
diethyl 2-(3-nitro-2-pyridinyl)propanedioate
CID 13147345
8-(3-methylbutan-2-ylsulfanyl)-5-nitroquinoline
CID 133428141
N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine
CID 81137765
N,3,3-trimethyl-1-(5-nitroquinolin-8-yl)butan-2-amine
CID 63198005
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine?
The IUPAC name of N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine (CID 55161032) is N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine.
What is the SMILES notation for N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine?
The canonical SMILES for N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine is CNC(C)C(c1ncccc1[N+](=O)[O-])C(C)C.
What is the InChIKey of N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine?
The InChIKey is JCZHKUXBUXNXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)11(9(3)13-4)12-10(15(16)17)6-5-7-14-12/h5-9,11,13H,1-4H3.
What are the key properties of N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine?
N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine has a molecular weight of 237.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine is sourced from PubChem (CID 55161032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).