N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine

C12H18N2O2 — CID 103172790

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1nccc(OC)c1OC
InChIInChI=1S/C12H18N2O2/c1-9(2)7-13-8-10-12(16-4)11(15-3)5-6-14-10/h5-6,13H,1,7-8H2,2-4H3
InChIKeyHGWKQDBTEVQFKH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds6

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 103172790) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
PubChem CID103172790
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCc1nccc(OC)c1OC
InChIInChI=1S/C12H18N2O2/c1-9(2)7-13-8-10-12(16-4)11(15-3)5-6-14-10/h5-6,13H,1,7-8H2,2-4H3
InChIKeyHGWKQDBTEVQFKH-UHFFFAOYSA-N
XLogP1.76
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
4-[(3,4-dimethoxy-2-pyridinyl)methylamino]butanamide
CID 103172274
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103172692
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103172410
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 103172287
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321
2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 103172793

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine (CID 103172790) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine is C=C(C)CNCc1nccc(OC)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is HGWKQDBTEVQFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)7-13-8-10-12(16-4)11(15-3)5-6-14-10/h5-6,13H,1,7-8H2,2-4H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 222.29 g/mol, XLogP of 1.76, 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-methylprop-2-en-1-amine is sourced from PubChem (CID 103172790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).