ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate

C19H24N2O2 — CID 163883095

IUPACethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(CN)n(C)c2cc(C3=CCCCC3)ccc12
InChIInChI=1S/C19H24N2O2/c1-3-23-19(22)18-15-10-9-14(13-7-5-4-6-8-13)11-16(15)21(2)17(18)12-20/h7,9-11H,3-6,8,12,20H2,1-2H3
InChIKeyPUZGYNKRPWJDGH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.77
Rot. Bonds4

About ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate

ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate (PubChem CID 163883095) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate
PubChem CID163883095
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nameethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(CN)n(C)c2cc(C3=CCCCC3)ccc12
InChIInChI=1S/C19H24N2O2/c1-3-23-19(22)18-15-10-9-14(13-7-5-4-6-8-13)11-16(15)21(2)17(18)12-20/h7,9-11H,3-6,8,12,20H2,1-2H3
InChIKeyPUZGYNKRPWJDGH-UHFFFAOYSA-N
XLogP3.77
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate (CID 163883095) is ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate is CCOC(=O)c1c(CN)n(C)c2cc(C3=CCCCC3)ccc12.
What is the InChIKey of ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate?
The InChIKey is PUZGYNKRPWJDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-19(22)18-15-10-9-14(13-7-5-4-6-8-13)11-16(15)21(2)17(18)12-20/h7,9-11H,3-6,8,12,20H2,1-2H3.
What are the key properties of ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate?
ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-6-(cyclohexen-1-yl)-1-methylindole-3-carboxylate is sourced from PubChem (CID 163883095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).