1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile

C15H17N3 — CID 114015624

IUPAC1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile
SMILESCC(CNC1CC1)n1ccc2ccc(C#N)cc21
InChIInChI=1S/C15H17N3/c1-11(10-17-14-4-5-14)18-7-6-13-3-2-12(9-16)8-15(13)18/h2-3,6-8,11,14,17H,4-5,10H2,1H3
InChIKeyCMJBJXZZODOGHC-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.83
Rot. Bonds4

About 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile

1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile (PubChem CID 114015624) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile
PubChem CID114015624
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile
SMILESCC(CNC1CC1)n1ccc2ccc(C#N)cc21
InChIInChI=1S/C15H17N3/c1-11(10-17-14-4-5-14)18-7-6-13-3-2-12(9-16)8-15(13)18/h2-3,6-8,11,14,17H,4-5,10H2,1H3
InChIKeyCMJBJXZZODOGHC-UHFFFAOYSA-N
XLogP2.83
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-cyanoindol-1-yl)propanehydrazide
CID 107917648
1-[2-[(2-methylcyclohexyl)amino]ethyl]indole-6-carbonitrile
CID 107916927
2-[2-(cyclopropylamino)ethyl]-3-methylbenzimidazole-5-carbonitrile
CID 84629734
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
1-hydroxyindole-6-carbonitrile
CID 13415512
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-[3-(cyclohexylamino)propyl]indole-5-carbonitrile
CID 107920048
3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]benzonitrile
CID 28716590
2-(5-cyanoindol-1-yl)-N-ethylpropanamide
CID 114015993

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile?
The IUPAC name of 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile (CID 114015624) is 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile.
What is the SMILES notation for 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile?
The canonical SMILES for 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile is CC(CNC1CC1)n1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile?
The InChIKey is CMJBJXZZODOGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11(10-17-14-4-5-14)18-7-6-13-3-2-12(9-16)8-15(13)18/h2-3,6-8,11,14,17H,4-5,10H2,1H3.
What are the key properties of 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile?
1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile has a molecular weight of 239.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylamino)propan-2-yl]indole-6-carbonitrile is sourced from PubChem (CID 114015624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).