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

C16H24N2 — CID 14739623

IUPAC1-(1-pentylindol-3-yl)propan-2-amine
SMILESCCCCCn1cc(CC(C)N)c2ccccc21
InChIInChI=1S/C16H24N2/c1-3-4-7-10-18-12-14(11-13(2)17)15-8-5-6-9-16(15)18/h5-6,8-9,12-13H,3-4,7,10-11,17H2,1-2H3
InChIKeyVDFRLZYVYBOBOD-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.72
Rot. Bonds6

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

1-(1-pentylindol-3-yl)propan-2-amine (PubChem CID 14739623) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1-pentylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-pentylindol-3-yl)propan-2-amine
PubChem CID14739623
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(1-pentylindol-3-yl)propan-2-amine
SMILESCCCCCn1cc(CC(C)N)c2ccccc21
InChIInChI=1S/C16H24N2/c1-3-4-7-10-18-12-14(11-13(2)17)15-8-5-6-9-16(15)18/h5-6,8-9,12-13H,3-4,7,10-11,17H2,1-2H3
InChIKeyVDFRLZYVYBOBOD-UHFFFAOYSA-N
XLogP3.72
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.72
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-pentylindol-3-yl)propan-2-amine?
The IUPAC name of 1-(1-pentylindol-3-yl)propan-2-amine (CID 14739623) is 1-(1-pentylindol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(1-pentylindol-3-yl)propan-2-amine?
The canonical SMILES for 1-(1-pentylindol-3-yl)propan-2-amine is CCCCCn1cc(CC(C)N)c2ccccc21.
What is the InChIKey of 1-(1-pentylindol-3-yl)propan-2-amine?
The InChIKey is VDFRLZYVYBOBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-7-10-18-12-14(11-13(2)17)15-8-5-6-9-16(15)18/h5-6,8-9,12-13H,3-4,7,10-11,17H2,1-2H3.
What are the key properties of 1-(1-pentylindol-3-yl)propan-2-amine?
1-(1-pentylindol-3-yl)propan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylindol-3-yl)propan-2-amine is sourced from PubChem (CID 14739623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).