N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine

C11H17N3O2 — CID 81137765

IUPACN-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine
SMILESCNC(C)C(C)c1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O2/c1-7-5-6-10(14(15)16)11(13-7)8(2)9(3)12-4/h5-6,8-9,12H,1-4H3
InChIKeyRAEBYVVELZHKAL-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.01
Rot. Bonds4

About N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine

N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine (PubChem CID 81137765) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine
PubChem CID81137765
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine
SMILESCNC(C)C(C)c1nc(C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N3O2/c1-7-5-6-10(14(15)16)11(13-7)8(2)9(3)12-4/h5-6,8-9,12H,1-4H3
InChIKeyRAEBYVVELZHKAL-UHFFFAOYSA-N
XLogP2.01
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.01
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

2-(3-chlorobutan-2-yl)-6-methyl-3-nitropyridine
CID 81137320
4-methyl-3-(6-methyl-3-nitro-2-pyridinyl)pentan-2-one
CID 81137315
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
3-(5-fluoro-2-nitrophenyl)-N-methylbutan-2-amine
CID 63199938
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-methyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]propanamide
CID 81139032
N,4-dimethyl-3-(3-nitro-2-pyridinyl)pentan-2-amine
CID 55161032
2-(2-bromopropyl)-6-methyl-3-nitropyridine
CID 81137414
N-methyl-3-(8-nitroquinolin-5-yl)butan-2-amine
CID 63199554
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
2-methyl-5-nitroquinolin-8-amine
CID 114289442
O-(6-methyl-3-nitro-2-pyridinyl)hydroxylamine
CID 81137851

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine?
The IUPAC name of N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine (CID 81137765) is N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine.
What is the SMILES notation for N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine?
The canonical SMILES for N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine is CNC(C)C(C)c1nc(C)ccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine?
The InChIKey is RAEBYVVELZHKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-5-6-10(14(15)16)11(13-7)8(2)9(3)12-4/h5-6,8-9,12H,1-4H3.
What are the key properties of N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine?
N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine has a molecular weight of 223.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 81137765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).