1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine

C12H19N3O — CID 142389310

IUPAC1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine
SMILESCCOc1ccc(N2CC(N(C)C)C2)nc1
InChIInChI=1S/C12H19N3O/c1-4-16-11-5-6-12(13-7-11)15-8-10(9-15)14(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyKILWEZCQMGUEBP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.23
Rot. Bonds4

About 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine

1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine (PubChem CID 142389310) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine
PubChem CID142389310
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine
SMILESCCOc1ccc(N2CC(N(C)C)C2)nc1
InChIInChI=1S/C12H19N3O/c1-4-16-11-5-6-12(13-7-11)15-8-10(9-15)14(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyKILWEZCQMGUEBP-UHFFFAOYSA-N
XLogP1.23
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylazetidin-1-yl)-5-methoxypyridine
CID 154695178
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
1-(5-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine;ethane
CID 143127002
1-[4-(3-fluoro-4-methylphenoxy)-2-pyridinyl]-N,N-dimethylazetidin-3-amine
CID 170746872
5-bromo-2-(3-ethoxyazetidin-1-yl)pyridine
CID 130815994
5-ethoxy-2-methylpyridine
CID 573198
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
tert-butyl N-[1-[5-[(4-butoxybenzoyl)amino]-2-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58867696
ethyl 6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 86777154
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperidin-4-amine;dihydrochloride
CID 69277737
1-(5-ethyl-2-pyridinyl)pyrrolidine-3,4-diol
CID 177167295
2-(3-bromopiperidin-1-yl)-5-methoxypyridine
CID 106505131

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine (CID 142389310) is 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine is CCOc1ccc(N2CC(N(C)C)C2)nc1.
What is the InChIKey of 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine?
The InChIKey is KILWEZCQMGUEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-16-11-5-6-12(13-7-11)15-8-10(9-15)14(2)3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine?
1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-pyridinyl)-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 142389310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).