3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole

C14H18N2 — CID 169286723

IUPAC3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
SMILESCc1ccc2c(CCN3CCC3)c[nH]c2c1
InChIInChI=1S/C14H18N2/c1-11-3-4-13-12(10-15-14(13)9-11)5-8-16-6-2-7-16/h3-4,9-10,15H,2,5-8H2,1H3
InChIKeyMBGCNZUNEWOUEP-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.72
Rot. Bonds3

About 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole

3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole (PubChem CID 169286723) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole.

Molecular Properties

Compound Name3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
PubChem CID169286723
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
SMILESCc1ccc2c(CCN3CCC3)c[nH]c2c1
InChIInChI=1S/C14H18N2/c1-11-3-4-13-12(10-15-14(13)9-11)5-8-16-6-2-7-16/h3-4,9-10,15H,2,5-8H2,1H3
InChIKeyMBGCNZUNEWOUEP-UHFFFAOYSA-N
XLogP2.72
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111973628
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82493176
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
3-[2-(azetidin-1-yl)ethyl]-1H-indole-5-carbonitrile
CID 170277645
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111092552
N'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934410
5-ethynyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 15838488
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555
3-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole
CID 113074456

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole?
The IUPAC name of 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole (CID 169286723) is 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole.
What is the SMILES notation for 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole?
The canonical SMILES for 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole is Cc1ccc2c(CCN3CCC3)c[nH]c2c1.
What is the InChIKey of 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole?
The InChIKey is MBGCNZUNEWOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-3-4-13-12(10-15-14(13)9-11)5-8-16-6-2-7-16/h3-4,9-10,15H,2,5-8H2,1H3.
What are the key properties of 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole?
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole has a molecular weight of 214.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole is sourced from PubChem (CID 169286723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).