3-(6-methylindol-1-yl)-N-propylpropan-1-amine

C15H22N2 — CID 62562354

IUPAC3-(6-methylindol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCn1ccc2ccc(C)cc21
InChIInChI=1S/C15H22N2/c1-3-8-16-9-4-10-17-11-7-14-6-5-13(2)12-15(14)17/h5-7,11-12,16H,3-4,8-10H2,1-2H3
InChIKeyPGHDCLKSOAOJJR-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.34
Rot. Bonds6

About 3-(6-methylindol-1-yl)-N-propylpropan-1-amine

3-(6-methylindol-1-yl)-N-propylpropan-1-amine (PubChem CID 62562354) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(6-methylindol-1-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(6-methylindol-1-yl)-N-propylpropan-1-amine
PubChem CID62562354
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name3-(6-methylindol-1-yl)-N-propylpropan-1-amine
SMILESCCCNCCCn1ccc2ccc(C)cc21
InChIInChI=1S/C15H22N2/c1-3-8-16-9-4-10-17-11-7-14-6-5-13(2)12-15(14)17/h5-7,11-12,16H,3-4,8-10H2,1-2H3
InChIKeyPGHDCLKSOAOJJR-UHFFFAOYSA-N
XLogP3.34
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylindol-1-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(6-methylindol-1-yl)-N-propylpropan-1-amine (CID 62562354) is 3-(6-methylindol-1-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(6-methylindol-1-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(6-methylindol-1-yl)-N-propylpropan-1-amine is CCCNCCCn1ccc2ccc(C)cc21.
What is the InChIKey of 3-(6-methylindol-1-yl)-N-propylpropan-1-amine?
The InChIKey is PGHDCLKSOAOJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-8-16-9-4-10-17-11-7-14-6-5-13(2)12-15(14)17/h5-7,11-12,16H,3-4,8-10H2,1-2H3.
What are the key properties of 3-(6-methylindol-1-yl)-N-propylpropan-1-amine?
3-(6-methylindol-1-yl)-N-propylpropan-1-amine has a molecular weight of 230.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylindol-1-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 62562354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).