1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile

C14H15N3 — CID 107918855

IUPAC1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCNC1CC1
InChIInChI=1S/C14H15N3/c15-10-11-2-1-3-14-13(11)6-8-17(14)9-7-16-12-4-5-12/h1-3,6,8,12,16H,4-5,7,9H2
InChIKeyMWCONCGYVUPQDT-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile

1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile (PubChem CID 107918855) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
PubChem CID107918855
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCNC1CC1
InChIInChI=1S/C14H15N3/c15-10-11-2-1-3-14-13(11)6-8-17(14)9-7-16-12-4-5-12/h1-3,6,8,12,16H,4-5,7,9H2
InChIKeyMWCONCGYVUPQDT-UHFFFAOYSA-N
XLogP2.26
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile
CID 107918833
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475
1-(4-aminobutyl)indole-4-carbonitrile
CID 107918909
1-(3,3,3-trifluoropropyl)indole-4-carbonitrile
CID 107918977
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile
CID 107919142
1-pent-4-ynylindole-4-carbonitrile
CID 107918825
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
1-[3-(2-methylpropylamino)propyl]indole-4-carbonitrile
CID 107918865
1-but-2-ynylindole-4-carbonitrile
CID 107919088
1-(3-methylbut-3-enyl)indole-4-carbonitrile
CID 107919182

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile (CID 107918855) is 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile is N#Cc1cccc2c1ccn2CCNC1CC1.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile?
The InChIKey is MWCONCGYVUPQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c15-10-11-2-1-3-14-13(11)6-8-17(14)9-7-16-12-4-5-12/h1-3,6,8,12,16H,4-5,7,9H2.
What are the key properties of 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile?
1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile has a molecular weight of 225.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile is sourced from PubChem (CID 107918855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).