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

C18H25N3O — CID 84756917

IUPAC2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
SMILESCCCN(CCC)C(C#N)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C18H25N3O/c1-5-9-21(10-6-2)18(12-19)16-13-20(3)17-8-7-14(22-4)11-15(16)17/h7-8,11,13,18H,5-6,9-10H2,1-4H3
InChIKeyIALICVNOWXMTTP-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.87
Rot. Bonds7

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

2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile (PubChem CID 84756917) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
PubChem CID84756917
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
SMILESCCCN(CCC)C(C#N)c1cn(C)c2ccc(OC)cc12
InChIInChI=1S/C18H25N3O/c1-5-9-21(10-6-2)18(12-19)16-13-20(3)17-8-7-14(22-4)11-15(16)17/h7-8,11,13,18H,5-6,9-10H2,1-4H3
InChIKeyIALICVNOWXMTTP-UHFFFAOYSA-N
XLogP3.87
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile
CID 84757475
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
1-(5-methoxy-1-propylindol-3-yl)ethanol
CID 83944528
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
(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
3-[4-(5-methoxy-1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]-1-methylindole-6-carbonitrile
CID 15513678
5-(5-methoxy-1-methylindol-3-yl)-1,2-oxazol-4-amine
CID 115109081

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile?
The IUPAC name of 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile (CID 84756917) is 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile?
The canonical SMILES for 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile is CCCN(CCC)C(C#N)c1cn(C)c2ccc(OC)cc12.
What is the InChIKey of 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile?
The InChIKey is IALICVNOWXMTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-5-9-21(10-6-2)18(12-19)16-13-20(3)17-8-7-14(22-4)11-15(16)17/h7-8,11,13,18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile?
2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile has a molecular weight of 299.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-2-(5-methoxy-1-methylindol-3-yl)acetonitrile is sourced from PubChem (CID 84756917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).