2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile

C15H20N4 — CID 84817313

IUPAC2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile
SMILESCN(C)CCCNC(C#N)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N4/c1-19(2)9-5-8-17-15(10-16)13-11-18-14-7-4-3-6-12(13)14/h3-4,6-7,11,15,17-18H,5,8-9H2,1-2H3
InChIKeyKOWUVHRZDPGLEQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.27
Rot. Bonds6

About 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile

2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile (PubChem CID 84817313) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile
PubChem CID84817313
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile
SMILESCN(C)CCCNC(C#N)c1c[nH]c2ccccc12
InChIInChI=1S/C15H20N4/c1-19(2)9-5-8-17-15(10-16)13-11-18-14-7-4-3-6-12(13)14/h3-4,6-7,11,15,17-18H,5,8-9H2,1-2H3
InChIKeyKOWUVHRZDPGLEQ-UHFFFAOYSA-N
XLogP2.27
TPSA54.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
CID 84816526
2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile
CID 84817476
2-[[cyano(1H-indol-3-yl)methyl]amino]acetic acid
CID 84816490
2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile
CID 84817781
2-[2-(dimethylamino)ethylamino]-2-(2-methoxyphenyl)acetonitrile
CID 54889204
2-[3-(dimethylamino)propylamino]-2-(4-methylphenyl)acetonitrile
CID 112500742
2-[cyano-[2-(dimethylamino)ethylamino]methyl]benzonitrile
CID 114017997
N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 112743020
2-(3-ethoxypropylamino)-2-(5-methoxy-1H-indol-3-yl)acetonitrile
CID 84817475
2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
2-[4-(diethylamino)phenyl]-2-[3-(dimethylamino)propylamino]acetonitrile
CID 84817292
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile (CID 84817313) is 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile is CN(C)CCCNC(C#N)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile?
The InChIKey is KOWUVHRZDPGLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19(2)9-5-8-17-15(10-16)13-11-18-14-7-4-3-6-12(13)14/h3-4,6-7,11,15,17-18H,5,8-9H2,1-2H3.
What are the key properties of 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile?
2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile has a molecular weight of 256.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 84817313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).