4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine

C12H19N3O2 — CID 103186137

IUPAC4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1ncc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C12H19N3O2/c1-8-7-14-11(6-5-9(2)13-4)10(3)12(8)15(16)17/h7,9,13H,5-6H2,1-4H3
InChIKeyTWVZGNVMNYXONX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.15
Rot. Bonds5

About 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine

4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine (PubChem CID 103186137) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine
PubChem CID103186137
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1ncc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C12H19N3O2/c1-8-7-14-11(6-5-9(2)13-4)10(3)12(8)15(16)17/h7,9,13H,5-6H2,1-4H3
InChIKeyTWVZGNVMNYXONX-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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

1-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylpentan-3-amine
CID 103186145
2-(3-chlorobutyl)-3,5-dimethyl-4-nitropyridine
CID 103182406
1-(3,5-dimethyl-4-nitro-2-pyridinyl)-4-methylpentan-3-ol
CID 103182326
1-(3,5-dimethyl-4-nitro-2-pyridinyl)pentan-3-amine
CID 103186135
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-3-methylbutan-1-amine
CID 103185432
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-1-methoxypropan-2-amine
CID 103185419
3-N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 103185605
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-3-methylsulfanylbutan-1-amine
CID 103185886
4-[(3,5-dimethyl-4-nitro-2-pyridinyl)methylamino]pentan-2-ol
CID 103185836
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-3-methylpentan-2-amine
CID 103185579
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]but-3-yn-2-amine
CID 103185915
N-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]-2-methylsulfinylpropan-1-amine
CID 103185873

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine?
The IUPAC name of 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine (CID 103186137) is 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine is CNC(C)CCc1ncc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine?
The InChIKey is TWVZGNVMNYXONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-7-14-11(6-5-9(2)13-4)10(3)12(8)15(16)17/h7,9,13H,5-6H2,1-4H3.
What are the key properties of 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine?
4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine has a molecular weight of 237.30 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-4-nitro-2-pyridinyl)-N-methylbutan-2-amine is sourced from PubChem (CID 103186137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).