1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile

C17H21N3 — CID 115242596

IUPAC1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CCc1cn(C)c2ccccc12)CC1(C#N)CC1
InChIInChI=1S/C17H21N3/c1-19(13-17(12-18)8-9-17)10-7-14-11-20(2)16-6-4-3-5-15(14)16/h3-6,11H,7-10,13H2,1-2H3
InChIKeyCYVVKVCIOSRBJU-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.96
Rot. Bonds5

About 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile

1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242596) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242596
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CCc1cn(C)c2ccccc12)CC1(C#N)CC1
InChIInChI=1S/C17H21N3/c1-19(13-17(12-18)8-9-17)10-7-14-11-20(2)16-6-4-3-5-15(14)16/h3-6,11H,7-10,13H2,1-2H3
InChIKeyCYVVKVCIOSRBJU-UHFFFAOYSA-N
XLogP2.96
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242386
1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242624
N-(hydrazinylmethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115261290
N-(methoxymethyl)-N-methyl-2-(1-methylindol-3-yl)ethanamine
CID 115259030
N,N'-dimethyl-N,N'-bis[(1-methylindol-3-yl)methyl]propane-1,3-diamine
CID 140589591
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
3-(2-bromoethyl)-1-methylindole
CID 13153306
3-[methyl-[(1-methylindol-3-yl)methyl]amino]propane-1-thiol
CID 115225013
1-[[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242579
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577
3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile
CID 115231099
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile (CID 115242596) is 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile is CN(CCc1cn(C)c2ccccc12)CC1(C#N)CC1.
What is the InChIKey of 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is CYVVKVCIOSRBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-19(13-17(12-18)8-9-17)10-7-14-11-20(2)16-6-4-3-5-15(14)16/h3-6,11H,7-10,13H2,1-2H3.
What are the key properties of 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile?
1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).