2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine

C11H17N3 — CID 130699391

IUPAC2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)CN1CCC1
InChIInChI=1S/C11H17N3/c1-9-3-4-13-7-10(9)11(12)8-14-5-2-6-14/h3-4,7,11H,2,5-6,8,12H2,1H3
InChIKeyJROHPTUBELFVAS-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.10
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine

2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 130699391) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID130699391
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)CN1CCC1
InChIInChI=1S/C11H17N3/c1-9-3-4-13-7-10(9)11(12)8-14-5-2-6-14/h3-4,7,11H,2,5-6,8,12H2,1H3
InChIKeyJROHPTUBELFVAS-UHFFFAOYSA-N
XLogP1.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 16787615
(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877993
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
CID 131011065
1-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 16783373
1-(4-methyl-3-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051303
3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 102927950
2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 175078061
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2-methylphenyl)ethanamine
CID 115559657

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 130699391) is 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1C(N)CN1CCC1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is JROHPTUBELFVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-3-4-13-7-10(9)11(12)8-14-5-2-6-14/h3-4,7,11H,2,5-6,8,12H2,1H3.
What are the key properties of 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 191.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 130699391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).