2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile

C16H21N3O — CID 84757475

IUPAC2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C16H21N3O/c1-5-19(6-2)16(10-17)14-11-18(3)15-8-7-12(20-4)9-13(14)15/h7-9,11,16H,5-6H2,1-4H3
InChIKeyCPLQEUQUYRZENS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.09
Rot. Bonds5

About 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile

2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile (PubChem CID 84757475) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
PubChem CID84757475
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C16H21N3O/c1-5-19(6-2)16(10-17)14-11-18(3)15-8-7-12(20-4)9-13(14)15/h7-9,11,16H,5-6H2,1-4H3
InChIKeyCPLQEUQUYRZENS-UHFFFAOYSA-N
XLogP3.09
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
CID 84756917
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
CID 170875278
3-bromo-5-methoxy-1-methylindole
CID 67003649
2-(2-methoxyethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetic acid
CID 84748283
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
CID 82278870
N,N-diethyl-3-(1-hydroxyethyl)-5-methoxyindole-1-carboxamide
CID 138973720
2-[bis(prop-2-enyl)amino]-2-(2,5-dimethoxyphenyl)acetonitrile
CID 84757362

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile (CID 84757475) is 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile is CCN(CC)C(C#N)c1cn(C)c2ccc(OC)cc12.
What is the InChIKey of 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile?
The InChIKey is CPLQEUQUYRZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-19(6-2)16(10-17)14-11-18(3)15-8-7-12(20-4)9-13(14)15/h7-9,11,16H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile?
2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile has a molecular weight of 271.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile is sourced from PubChem (CID 84757475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).