1-(1-octylindol-3-yl)propan-2-amine

C19H30N2 — CID 14739626

IUPAC1-(1-octylindol-3-yl)propan-2-amine
SMILESCCCCCCCCn1cc(CC(C)N)c2ccccc21
InChIInChI=1S/C19H30N2/c1-3-4-5-6-7-10-13-21-15-17(14-16(2)20)18-11-8-9-12-19(18)21/h8-9,11-12,15-16H,3-7,10,13-14,20H2,1-2H3
InChIKeyNZQKEIAOAZQJFJ-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.89
Rot. Bonds9

About 1-(1-octylindol-3-yl)propan-2-amine

1-(1-octylindol-3-yl)propan-2-amine (PubChem CID 14739626) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(1-octylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-octylindol-3-yl)propan-2-amine
PubChem CID14739626
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(1-octylindol-3-yl)propan-2-amine
SMILESCCCCCCCCn1cc(CC(C)N)c2ccccc21
InChIInChI=1S/C19H30N2/c1-3-4-5-6-7-10-13-21-15-17(14-16(2)20)18-11-8-9-12-19(18)21/h8-9,11-12,15-16H,3-7,10,13-14,20H2,1-2H3
InChIKeyNZQKEIAOAZQJFJ-UHFFFAOYSA-N
XLogP4.89
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.89
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 1-(1-octylindol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-octylindol-3-yl)propan-2-amine (CID 14739626) is 1-(1-octylindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-octylindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-octylindol-3-yl)propan-2-amine is CCCCCCCCn1cc(CC(C)N)c2ccccc21.
What is the InChIKey of 1-(1-octylindol-3-yl)propan-2-amine?
The InChIKey is NZQKEIAOAZQJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-4-5-6-7-10-13-21-15-17(14-16(2)20)18-11-8-9-12-19(18)21/h8-9,11-12,15-16H,3-7,10,13-14,20H2,1-2H3.
What are the key properties of 1-(1-octylindol-3-yl)propan-2-amine?
1-(1-octylindol-3-yl)propan-2-amine has a molecular weight of 286.46 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-octylindol-3-yl)propan-2-amine is sourced from PubChem (CID 14739626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).