1-(7-pentyl-1H-indol-3-yl)propan-2-amine

C16H24N2 — CID 14739625

IUPAC1-(7-pentyl-1H-indol-3-yl)propan-2-amine
SMILESCCCCCc1cccc2c(CC(C)N)c[nH]c12
InChIInChI=1S/C16H24N2/c1-3-4-5-7-13-8-6-9-15-14(10-12(2)17)11-18-16(13)15/h6,8-9,11-12,18H,3-5,7,10,17H2,1-2H3
InChIKeyVKEQGSWLJCOTCX-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.79
Rot. Bonds6

About 1-(7-pentyl-1H-indol-3-yl)propan-2-amine

1-(7-pentyl-1H-indol-3-yl)propan-2-amine (PubChem CID 14739625) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(7-pentyl-1H-indol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-pentyl-1H-indol-3-yl)propan-2-amine
PubChem CID14739625
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(7-pentyl-1H-indol-3-yl)propan-2-amine
SMILESCCCCCc1cccc2c(CC(C)N)c[nH]c12
InChIInChI=1S/C16H24N2/c1-3-4-5-7-13-8-6-9-15-14(10-12(2)17)11-18-16(13)15/h6,8-9,11-12,18H,3-5,7,10,17H2,1-2H3
InChIKeyVKEQGSWLJCOTCX-UHFFFAOYSA-N
XLogP3.79
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(7-pentyl-1H-indol-3-yl)propan-2-amine?
The IUPAC name of 1-(7-pentyl-1H-indol-3-yl)propan-2-amine (CID 14739625) is 1-(7-pentyl-1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(7-pentyl-1H-indol-3-yl)propan-2-amine?
The canonical SMILES for 1-(7-pentyl-1H-indol-3-yl)propan-2-amine is CCCCCc1cccc2c(CC(C)N)c[nH]c12.
What is the InChIKey of 1-(7-pentyl-1H-indol-3-yl)propan-2-amine?
The InChIKey is VKEQGSWLJCOTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-5-7-13-8-6-9-15-14(10-12(2)17)11-18-16(13)15/h6,8-9,11-12,18H,3-5,7,10,17H2,1-2H3.
What are the key properties of 1-(7-pentyl-1H-indol-3-yl)propan-2-amine?
1-(7-pentyl-1H-indol-3-yl)propan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-pentyl-1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 14739625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).