N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine

C10H15N3O2 — CID 63199360

IUPACN-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
SMILESCNC(C)C(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H15N3O2/c1-7(8(2)11-3)10-5-4-9(6-12-10)13(14)15/h4-8,11H,1-3H3
InChIKeyAAUJDVNKYVBFPW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.70
Rot. Bonds4

About N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine

N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine (PubChem CID 63199360) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
PubChem CID63199360
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
SMILESCNC(C)C(C)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H15N3O2/c1-7(8(2)11-3)10-5-4-9(6-12-10)13(14)15/h4-8,11H,1-3H3
InChIKeyAAUJDVNKYVBFPW-UHFFFAOYSA-N
XLogP1.70
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.70
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-(5-nitro-2-pyridinyl)butan-2-amine
CID 63198306
2-(5-nitro-2-pyridinyl)pentan-3-amine
CID 63550334
3-(3-bromo-5-nitro-2-pyridinyl)-N-methylbutan-2-amine
CID 79523548
4-methyl-2-(5-nitro-2-pyridinyl)pentanoic acid
CID 104571787
3,3-dimethyl-2-(5-nitro-2-pyridinyl)butanoic acid
CID 118156200
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271501
(1R)-2-methoxy-1-(5-nitro-2-pyridinyl)ethanamine
CID 55271925
2-decan-5-yl-5-nitropyridine
CID 129070870
3-chloro-1-(5-nitro-2-pyridinyl)propane-1,2-diol
CID 171862025
2-(1-bromoethyl)-5-(4-nitrophenyl)pyridine
CID 86680625
ethane;2-methyl-5-nitropyridine
CID 123657002

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine?
The IUPAC name of N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine (CID 63199360) is N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine?
The canonical SMILES for N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine is CNC(C)C(C)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine?
The InChIKey is AAUJDVNKYVBFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(8(2)11-3)10-5-4-9(6-12-10)13(14)15/h4-8,11H,1-3H3.
What are the key properties of N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine?
N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine has a molecular weight of 209.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 63199360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).