1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile

C16H19N3O — CID 107918833

IUPAC1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCNCC1CCOC1
InChIInChI=1S/C16H19N3O/c17-10-14-2-1-3-16-15(14)4-7-19(16)8-6-18-11-13-5-9-20-12-13/h1-4,7,13,18H,5-6,8-9,11-12H2
InChIKeyKXSIRKXYMNPZOE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile

1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile (PubChem CID 107918833) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile
PubChem CID107918833
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCNCC1CCOC1
InChIInChI=1S/C16H19N3O/c17-10-14-2-1-3-16-15(14)4-7-19(16)8-6-18-11-13-5-9-20-12-13/h1-4,7,13,18H,5-6,8-9,11-12H2
InChIKeyKXSIRKXYMNPZOE-UHFFFAOYSA-N
XLogP2.14
TPSA49.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62562885
1-[2-(cyclopropylamino)ethyl]indole-4-carbonitrile
CID 107918855
2-(5-chloroindol-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 63879209
2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107919052
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
N-(cyclopentylmethyl)-2-(4-fluoroindol-1-yl)ethanamine
CID 82791538
4-methyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyridin-2-one
CID 62986607
1-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]indole-4-carbonitrile
CID 107918852
N-(cyclohexylmethyl)-2-(4-methylindol-1-yl)ethanamine
CID 63504513
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
CID 80582524
1-[3-(2-methylpropylamino)propyl]indole-4-carbonitrile
CID 107918865

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile?
The IUPAC name of 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile (CID 107918833) is 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile?
The canonical SMILES for 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile is N#Cc1cccc2c1ccn2CCNCC1CCOC1.
What is the InChIKey of 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile?
The InChIKey is KXSIRKXYMNPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-10-14-2-1-3-16-15(14)4-7-19(16)8-6-18-11-13-5-9-20-12-13/h1-4,7,13,18H,5-6,8-9,11-12H2.
What are the key properties of 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile?
1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-3-ylmethylamino)ethyl]indole-4-carbonitrile is sourced from PubChem (CID 107918833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).