3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile

C16H19N3O — CID 116912830

IUPAC3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile
SMILESCN(C)C(c1cn(C)c2ccccc12)C1(C#N)COC1
InChIInChI=1S/C16H19N3O/c1-18(2)15(16(9-17)10-20-11-16)13-8-19(3)14-7-5-4-6-12(13)14/h4-8,15H,10-11H2,1-3H3
InChIKeyRSOAXFSABFKBHX-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.32
Rot. Bonds3

About 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile

3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile (PubChem CID 116912830) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile
PubChem CID116912830
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile
SMILESCN(C)C(c1cn(C)c2ccccc12)C1(C#N)COC1
InChIInChI=1S/C16H19N3O/c1-18(2)15(16(9-17)10-20-11-16)13-8-19(3)14-7-5-4-6-12(13)14/h4-8,15H,10-11H2,1-3H3
InChIKeyRSOAXFSABFKBHX-UHFFFAOYSA-N
XLogP2.32
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[dimethylamino-(2,4,5-trimethylphenyl)methyl]oxetane-3-carbonitrile
CID 116912834
1-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)methanamine
CID 116915219
3-methyl-2-[3-(1-methylindol-3-yl)oxetan-3-yl]butanenitrile
CID 116875563
1-methyl-3-propan-2-ylindole
CID 10942942
2-(dimethylamino)-2-(1-methylindol-3-yl)ethanethiol
CID 116908811
2-chloro-N,N-dimethyl-1-(1-methylindol-3-yl)ethanamine
CID 116907436
3-(1-methylindol-3-yl)oxetane-3-carbaldehyde
CID 116872351
1-methyl-3-(2-methyloxiran-2-yl)indole
CID 82468567
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-amine
CID 116869840
2,2-dimethyl-3-(methylamino)-3-(1-methylindol-3-yl)propanenitrile
CID 116955721
1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242386
2-amino-3-(dimethylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 116911472

Frequently Asked Questions

What is the IUPAC name of 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile (CID 116912830) is 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile is CN(C)C(c1cn(C)c2ccccc12)C1(C#N)COC1.
What is the InChIKey of 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile?
The InChIKey is RSOAXFSABFKBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-18(2)15(16(9-17)10-20-11-16)13-8-19(3)14-7-5-4-6-12(13)14/h4-8,15H,10-11H2,1-3H3.
What are the key properties of 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile?
3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethylamino-(1-methylindol-3-yl)methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 116912830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).