3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile

C17H21N3 — CID 22638830

IUPAC3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile
SMILESCCNCCCC1CC1c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C17H21N3/c1-2-19-7-3-4-13-9-14(13)16-11-20-17-6-5-12(10-18)8-15(16)17/h5-6,8,11,13-14,19-20H,2-4,7,9H2,1H3
InChIKeyUABAWVMGMPTORM-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.53
Rot. Bonds6

About 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile

3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile (PubChem CID 22638830) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile
PubChem CID22638830
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile
SMILESCCNCCCC1CC1c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C17H21N3/c1-2-19-7-3-4-13-9-14(13)16-11-20-17-6-5-12(10-18)8-15(16)17/h5-6,8,11,13-14,19-20H,2-4,7,9H2,1H3
InChIKeyUABAWVMGMPTORM-UHFFFAOYSA-N
XLogP3.53
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile (CID 22638830) is 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile is CCNCCCC1CC1c1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile?
The InChIKey is UABAWVMGMPTORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-19-7-3-4-13-9-14(13)16-11-20-17-6-5-12(10-18)8-15(16)17/h5-6,8,11,13-14,19-20H,2-4,7,9H2,1H3.
What are the key properties of 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile?
3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 22638830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).