4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole

C14H18N2 — CID 134382573

IUPAC4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCC1
InChIInChI=1S/C14H18N2/c1-10-8-11(2)14-12(4-5-15-14)13(10)9-16-6-3-7-16/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyNLVCTAUWNZJFGE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.99
Rot. Bonds2

About 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole

4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole (PubChem CID 134382573) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
PubChem CID134382573
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCC1
InChIInChI=1S/C14H18N2/c1-10-8-11(2)14-12(4-5-15-14)13(10)9-16-6-3-7-16/h4-5,8,15H,3,6-7,9H2,1-2H3
InChIKeyNLVCTAUWNZJFGE-UHFFFAOYSA-N
XLogP2.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
CID 131994973
5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole
CID 174346951
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile
CID 170975589
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole
CID 174346481
(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-N-methyl-2-phenylpiperidin-4-amine
CID 125493472
[4-[1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]phenyl]methanesulfinate
CID 174789964
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
8-[(5,7-dimethyl-1H-indol-4-yl)methyl]-7-phenyl-1-oxa-8-azaspiro[4.5]decane
CID 172515578

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole?
The IUPAC name of 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole (CID 134382573) is 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole is Cc1cc(C)c2[nH]ccc2c1CN1CCC1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole?
The InChIKey is NLVCTAUWNZJFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-8-11(2)14-12(4-5-15-14)13(10)9-16-6-3-7-16/h4-5,8,15H,3,6-7,9H2,1-2H3.
What are the key properties of 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole?
4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole has a molecular weight of 214.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole is sourced from PubChem (CID 134382573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).