1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine

C13H20N2O2 — CID 105497943

IUPAC1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(CCC2(N)CC2)nc(OC)c1C
InChIInChI=1S/C13H20N2O2/c1-9-11(16-2)8-10(15-12(9)17-3)4-5-13(14)6-7-13/h8H,4-7,14H2,1-3H3
InChIKeyTXUMISBSNVSOFV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine

1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine (PubChem CID 105497943) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine
PubChem CID105497943
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(CCC2(N)CC2)nc(OC)c1C
InChIInChI=1S/C13H20N2O2/c1-9-11(16-2)8-10(15-12(9)17-3)4-5-13(14)6-7-13/h8H,4-7,14H2,1-3H3
InChIKeyTXUMISBSNVSOFV-UHFFFAOYSA-N
XLogP1.83
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(6-methoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine
CID 105459201
1-[2-(5-chloro-4-methoxy-2-pyridinyl)ethyl]cyclopropan-1-amine
CID 105484219
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
1-[3-(5-chloro-2-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83912543
1-[2-(3-methoxy-2,4,6-trimethylphenyl)ethyl]cyclopropan-1-amine
CID 105493542
1-[2-(2,3-dimethoxy-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105496609
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105499390
2-[2-(1-aminocyclopropyl)ethyl]-4-ethyl-5-methoxyphenol
CID 105496630
1-[2-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)ethyl]cyclopropan-1-amine
CID 105456658
1-[2-(2-methoxy-4-pyridinyl)ethyl]cyclopropan-1-amine
CID 105446410

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine (CID 105497943) is 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine is COc1cc(CCC2(N)CC2)nc(OC)c1C.
What is the InChIKey of 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine?
The InChIKey is TXUMISBSNVSOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-11(16-2)8-10(15-12(9)17-3)4-5-13(14)6-7-13/h8H,4-7,14H2,1-3H3.
What are the key properties of 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine?
1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine has a molecular weight of 236.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-dimethoxy-5-methyl-2-pyridinyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105497943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).