3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine

C20H24N2 — CID 170866731

IUPAC3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H24N2/c1-21(2)13-6-9-17-10-11-19-12-14-22(20(19)15-17)16-18-7-4-3-5-8-18/h3-5,7-8,10-12,14-15H,6,9,13,16H2,1-2H3
InChIKeyDEIZOXZACQIOEN-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.18
Rot. Bonds6

About 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine

3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170866731) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine
PubChem CID170866731
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc2ccn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H24N2/c1-21(2)13-6-9-17-10-11-19-12-14-22(20(19)15-17)16-18-7-4-3-5-8-18/h3-5,7-8,10-12,14-15H,6,9,13,16H2,1-2H3
InChIKeyDEIZOXZACQIOEN-UHFFFAOYSA-N
XLogP4.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine (CID 170866731) is 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc2ccn(Cc3ccccc3)c2c1.
What is the InChIKey of 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is DEIZOXZACQIOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-21(2)13-6-9-17-10-11-19-12-14-22(20(19)15-17)16-18-7-4-3-5-8-18/h3-5,7-8,10-12,14-15H,6,9,13,16H2,1-2H3.
What are the key properties of 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine?
3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-6-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).