N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine

C13H22N2O2 — CID 103172116

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1nccc(OC)c1OC
InChIInChI=1S/C13H22N2O2/c1-6-13(2,3)15-9-10-12(17-5)11(16-4)7-8-14-10/h7-8,15H,6,9H2,1-5H3
InChIKeyIVPUGWRKNNJDRQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.38
Rot. Bonds6

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine (PubChem CID 103172116) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
PubChem CID103172116
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1nccc(OC)c1OC
InChIInChI=1S/C13H22N2O2/c1-6-13(2,3)15-9-10-12(17-5)11(16-4)7-8-14-10/h7-8,15H,6,9H2,1-5H3
InChIKeyIVPUGWRKNNJDRQ-UHFFFAOYSA-N
XLogP2.38
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-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

1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103172692
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine
CID 103172752
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine (CID 103172116) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1nccc(OC)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine?
The InChIKey is IVPUGWRKNNJDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-13(2,3)15-9-10-12(17-5)11(16-4)7-8-14-10/h7-8,15H,6,9H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine has a molecular weight of 238.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 103172116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).