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

C12H18N2O2 — CID 103172752

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine
SMILESCOc1ccnc(CNC2(C)CC2)c1OC
InChIInChI=1S/C12H18N2O2/c1-12(5-6-12)14-8-9-11(16-3)10(15-2)4-7-13-9/h4,7,14H,5-6,8H2,1-3H3
InChIKeyJPPWFGPGZUXLQH-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.74
Rot. Bonds5

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

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine (PubChem CID 103172752) 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]-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine
PubChem CID103172752
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine
SMILESCOc1ccnc(CNC2(C)CC2)c1OC
InChIInChI=1S/C12H18N2O2/c1-12(5-6-12)14-8-9-11(16-3)10(15-2)4-7-13-9/h4,7,14H,5-6,8H2,1-3H3
InChIKeyJPPWFGPGZUXLQH-UHFFFAOYSA-N
XLogP1.74
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
4-(chloromethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]oxan-4-amine
CID 106299633
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
2-[1-[[(3,4-dimethoxy-2-pyridinyl)methylamino]methyl]cyclopropyl]ethanol
CID 103172793
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylbutan-2-amine
CID 103172116
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103172520

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine (CID 103172752) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine is COc1ccnc(CNC2(C)CC2)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine?
The InChIKey is JPPWFGPGZUXLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(5-6-12)14-8-9-11(16-3)10(15-2)4-7-13-9/h4,7,14H,5-6,8H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylcyclopropan-1-amine has a molecular weight of 222.29 g/mol, XLogP of 1.74, 5 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]-1-methylcyclopropan-1-amine is sourced from PubChem (CID 103172752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).