3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile

C12H13N3 — CID 105452210

IUPAC3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile
SMILESCc1[nH]c2cccc(C#N)c2c1C(C)N
InChIInChI=1S/C12H13N3/c1-7(14)11-8(2)15-10-5-3-4-9(6-13)12(10)11/h3-5,7,15H,14H2,1-2H3
InChIKeyNMCAMIGATLREGE-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.37
Rot. Bonds1

About 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile

3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile (PubChem CID 105452210) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile.

Molecular Properties

Compound Name3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile
PubChem CID105452210
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile
SMILESCc1[nH]c2cccc(C#N)c2c1C(C)N
InChIInChI=1S/C12H13N3/c1-7(14)11-8(2)15-10-5-3-4-9(6-13)12(10)11/h3-5,7,15H,14H2,1-2H3
InChIKeyNMCAMIGATLREGE-UHFFFAOYSA-N
XLogP2.37
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9H-carbazole-1,5-dicarbonitrile
CID 134477332
methane;3-methyl-1H-indole-4-carbonitrile
CID 161218603
2-(1-aminoethyl)-1H-indole-7-carbonitrile
CID 130001024
2-(9H-carbazol-4-yl)benzonitrile
CID 171060535
3-sulfanyl-1H-indole-4-carbonitrile
CID 155575103
ethyl 5-cyano-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037309
3-amino-1H-indazole-4-carbonitrile
CID 54016394
3-[(1S)-1-aminoethyl]-2-fluorobenzonitrile;hydrochloride
CID 168966472
ethyl 5-cyano-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 13037304
3-[(2S)-2-aminopropyl]-2-methylbenzonitrile
CID 99945744
3-propan-2-yl-2-sulfanylidene-1H-benzimidazole-4-carbonitrile
CID 134444136
2-methyl-3-oxo-1H-indazole-4-carbonitrile
CID 105435395

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile?
The IUPAC name of 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile (CID 105452210) is 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile.
What is the SMILES notation for 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile?
The canonical SMILES for 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile is Cc1[nH]c2cccc(C#N)c2c1C(C)N.
What is the InChIKey of 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile?
The InChIKey is NMCAMIGATLREGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-7(14)11-8(2)15-10-5-3-4-9(6-13)12(10)11/h3-5,7,15H,14H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile?
3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-2-methyl-1H-indole-4-carbonitrile is sourced from PubChem (CID 105452210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).