3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile

C17H21N3 — CID 11623136

IUPAC3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile
SMILESCCn1cc([C@H]2C[C@@H]2CN(C)C)c2cc(C#N)ccc21
InChIInChI=1S/C17H21N3/c1-4-20-11-16(14-8-13(14)10-19(2)3)15-7-12(9-18)5-6-17(15)20/h5-7,11,13-14H,4,8,10H2,1-3H3/t13-,14+/m1/s1
InChIKeyFBYZEHXPWUZCPM-KGLIPLIRSA-N
MW267.38 g/mol
LogP3.20
Rot. Bonds4

About 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile

3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile (PubChem CID 11623136) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile.

Molecular Properties

Compound Name3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile
PubChem CID11623136
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile
SMILESCCn1cc([C@H]2C[C@@H]2CN(C)C)c2cc(C#N)ccc21
InChIInChI=1S/C17H21N3/c1-4-20-11-16(14-8-13(14)10-19(2)3)15-7-12(9-18)5-6-17(15)20/h5-7,11,13-14H,4,8,10H2,1-3H3/t13-,14+/m1/s1
InChIKeyFBYZEHXPWUZCPM-KGLIPLIRSA-N
XLogP3.20
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile?
The IUPAC name of 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile (CID 11623136) is 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile.
What is the SMILES notation for 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile?
The canonical SMILES for 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile is CCn1cc([C@H]2C[C@@H]2CN(C)C)c2cc(C#N)ccc21.
What is the InChIKey of 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile?
The InChIKey is FBYZEHXPWUZCPM-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H21N3/c1-4-20-11-16(14-8-13(14)10-19(2)3)15-7-12(9-18)5-6-17(15)20/h5-7,11,13-14H,4,8,10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile?
3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-[(dimethylamino)methyl]cyclopropyl]-1-ethylindole-5-carbonitrile is sourced from PubChem (CID 11623136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).