1-(4-aminobutyl)indole-4-carbonitrile

C13H15N3 — CID 107918909

IUPAC1-(4-aminobutyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCCCN
InChIInChI=1S/C13H15N3/c14-7-1-2-8-16-9-6-12-11(10-15)4-3-5-13(12)16/h3-6,9H,1-2,7-8,14H2
InChIKeyDHCGHFFUICEPTA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.25
Rot. Bonds4

About 1-(4-aminobutyl)indole-4-carbonitrile

1-(4-aminobutyl)indole-4-carbonitrile (PubChem CID 107918909) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(4-aminobutyl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-aminobutyl)indole-4-carbonitrile
PubChem CID107918909
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-(4-aminobutyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCCCN
InChIInChI=1S/C13H15N3/c14-7-1-2-8-16-9-6-12-11(10-15)4-3-5-13(12)16/h3-6,9H,1-2,7-8,14H2
InChIKeyDHCGHFFUICEPTA-UHFFFAOYSA-N
XLogP2.25
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(4-aminobutyl)indole-4-carbonitrile?
The IUPAC name of 1-(4-aminobutyl)indole-4-carbonitrile (CID 107918909) is 1-(4-aminobutyl)indole-4-carbonitrile.
What is the SMILES notation for 1-(4-aminobutyl)indole-4-carbonitrile?
The canonical SMILES for 1-(4-aminobutyl)indole-4-carbonitrile is N#Cc1cccc2c1ccn2CCCCN.
What is the InChIKey of 1-(4-aminobutyl)indole-4-carbonitrile?
The InChIKey is DHCGHFFUICEPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-7-1-2-8-16-9-6-12-11(10-15)4-3-5-13(12)16/h3-6,9H,1-2,7-8,14H2.
What are the key properties of 1-(4-aminobutyl)indole-4-carbonitrile?
1-(4-aminobutyl)indole-4-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)indole-4-carbonitrile is sourced from PubChem (CID 107918909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).