3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile

C21H21N3 — CID 22638776

IUPAC3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile
SMILESCN(Cc1ccccc1)CC1CC1c1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C21H21N3/c1-24(13-15-5-3-2-4-6-15)14-17-10-19(17)20-12-23-21-9-16(11-22)7-8-18(20)21/h2-9,12,17,19,23H,10,13-14H2,1H3
InChIKeyMHVSABVUOMJPBJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.28
Rot. Bonds5

About 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile

3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile (PubChem CID 22638776) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile
PubChem CID22638776
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile
SMILESCN(Cc1ccccc1)CC1CC1c1c[nH]c2cc(C#N)ccc12
InChIInChI=1S/C21H21N3/c1-24(13-15-5-3-2-4-6-15)14-17-10-19(17)20-12-23-21-9-16(11-22)7-8-18(20)21/h2-9,12,17,19,23H,10,13-14H2,1H3
InChIKeyMHVSABVUOMJPBJ-UHFFFAOYSA-N
XLogP4.28
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate
CID 142174176
3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile
CID 22638830
1-[[(1R,2R)-2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl]-1-ethyl-3-[2-(ethylamino)ethyl]urea
CID 91128733
3-[2-[1-(dimethylamino)ethyl]cyclopropyl]-1H-indole-5-carbonitrile
CID 22638732
3-[[cyclopropylmethyl(methyl)amino]methyl]benzonitrile
CID 47053990
3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile
CID 10447238
1-[[(1R,2R)-2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl]-1-ethyl-3-[2-(methylamino)propyl]urea
CID 91305447
propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate
CID 142174165
3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79707092
3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile
CID 156836179
3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-methylindole-5-carbonitrile
CID 11644537
3-(2,5-dioxopyrrolidin-3-yl)-1H-indole-6-carbonitrile
CID 118512091

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile?
The IUPAC name of 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile (CID 22638776) is 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile?
The canonical SMILES for 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile is CN(Cc1ccccc1)CC1CC1c1c[nH]c2cc(C#N)ccc12.
What is the InChIKey of 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile?
The InChIKey is MHVSABVUOMJPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-24(13-15-5-3-2-4-6-15)14-17-10-19(17)20-12-23-21-9-16(11-22)7-8-18(20)21/h2-9,12,17,19,23H,10,13-14H2,1H3.
What are the key properties of 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile?
3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile has a molecular weight of 315.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 22638776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).