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

C15H19N3O — CID 84817476

IUPAC2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile
SMILESCCOCCCNC(C#N)c1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O/c1-2-19-9-5-8-17-15(10-16)13-11-18-14-7-4-3-6-12(13)14/h3-4,6-7,11,15,17-18H,2,5,8-9H2,1H3
InChIKeySYFXHNVYQOMWQH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds7

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

2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile (PubChem CID 84817476) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile
PubChem CID84817476
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile
SMILESCCOCCCNC(C#N)c1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3O/c1-2-19-9-5-8-17-15(10-16)13-11-18-14-7-4-3-6-12(13)14/h3-4,6-7,11,15,17-18H,2,5,8-9H2,1H3
InChIKeySYFXHNVYQOMWQH-UHFFFAOYSA-N
XLogP2.75
TPSA60.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.75
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-(5-methoxy-1H-indol-3-yl)acetonitrile
CID 84817475
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-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
2-[(2-chlorophenyl)methylamino]-2-(1H-indol-3-yl)acetonitrile
CID 84817781
N-(3-ethoxypropyl)-1H-indole-3-carboxamide
CID 17474567
2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
2-(3,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetonitrile
CID 84817434
N-ethyl-1-(1H-indol-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 112743020
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile (CID 84817476) is 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile is CCOCCCNC(C#N)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile?
The InChIKey is SYFXHNVYQOMWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-9-5-8-17-15(10-16)13-11-18-14-7-4-3-6-12(13)14/h3-4,6-7,11,15,17-18H,2,5,8-9H2,1H3.
What are the key properties of 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile?
2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropylamino)-2-(1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 84817476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).