3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile

C19H25N3 — CID 10447238

IUPAC3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile
SMILESCCN(CC)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C19H25N3/c1-3-22(4-2)13-15-6-5-7-16(15)18-12-21-19-9-8-14(11-20)10-17(18)19/h8-10,12,15-16,21H,3-7,13H2,1-2H3/t15-,16+/m1/s1
InChIKeyAVCUNTXPYNDWEE-CVEARBPZSA-N
MW295.43 g/mol
LogP4.27
Rot. Bonds5

About 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile

3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile (PubChem CID 10447238) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile
PubChem CID10447238
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile
SMILESCCN(CC)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C19H25N3/c1-3-22(4-2)13-15-6-5-7-16(15)18-12-21-19-9-8-14(11-20)10-17(18)19/h8-10,12,15-16,21H,3-7,13H2,1-2H3/t15-,16+/m1/s1
InChIKeyAVCUNTXPYNDWEE-CVEARBPZSA-N
XLogP4.27
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile (CID 10447238) is 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile is CCN(CC)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile?
The InChIKey is AVCUNTXPYNDWEE-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N3/c1-3-22(4-2)13-15-6-5-7-16(15)18-12-21-19-9-8-14(11-20)10-17(18)19/h8-10,12,15-16,21H,3-7,13H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile?
3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile has a molecular weight of 295.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10447238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).