2-(1H-indol-3-yl)-2-(propylamino)acetonitrile

C13H15N3 — CID 84816526

IUPAC2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H15N3/c1-2-7-15-13(8-14)11-9-16-12-6-4-3-5-10(11)12/h3-6,9,13,15-16H,2,7H2,1H3
InChIKeyHYUWMEWMYYEXJY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.73
Rot. Bonds4

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

2-(1H-indol-3-yl)-2-(propylamino)acetonitrile (PubChem CID 84816526) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
PubChem CID84816526
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1c[nH]c2ccccc12
InChIInChI=1S/C13H15N3/c1-2-7-15-13(8-14)11-9-16-12-6-4-3-5-10(11)12/h3-6,9,13,15-16H,2,7H2,1H3
InChIKeyHYUWMEWMYYEXJY-UHFFFAOYSA-N
XLogP2.73
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile
CID 84817476
2-[3-(dimethylamino)propylamino]-2-(1H-indol-3-yl)acetonitrile
CID 84817313
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-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
2-(2-cyclopropylphenyl)-2-(propylamino)acetonitrile
CID 79983003
2-(3-ethoxypropylamino)-2-(5-methoxy-1H-indol-3-yl)acetonitrile
CID 84817475
3-propan-2-yl-1H-indole
CID 12534824
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile?
The IUPAC name of 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile (CID 84816526) is 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile?
The canonical SMILES for 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile is CCCNC(C#N)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile?
The InChIKey is HYUWMEWMYYEXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-7-15-13(8-14)11-9-16-12-6-4-3-5-10(11)12/h3-6,9,13,15-16H,2,7H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile?
2-(1H-indol-3-yl)-2-(propylamino)acetonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-(propylamino)acetonitrile is sourced from PubChem (CID 84816526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).