1-(1-pentylindol-5-yl)propan-2-amine

C16H24N2 — CID 102917546

IUPAC1-(1-pentylindol-5-yl)propan-2-amine
SMILESCCCCCn1ccc2cc(CC(C)N)ccc21
InChIInChI=1S/C16H24N2/c1-3-4-5-9-18-10-8-15-12-14(11-13(2)17)6-7-16(15)18/h6-8,10,12-13H,3-5,9,11,17H2,1-2H3
InChIKeyNVIRBYGBTVVGED-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.72
Rot. Bonds6

About 1-(1-pentylindol-5-yl)propan-2-amine

1-(1-pentylindol-5-yl)propan-2-amine (PubChem CID 102917546) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(1-pentylindol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-pentylindol-5-yl)propan-2-amine
PubChem CID102917546
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(1-pentylindol-5-yl)propan-2-amine
SMILESCCCCCn1ccc2cc(CC(C)N)ccc21
InChIInChI=1S/C16H24N2/c1-3-4-5-9-18-10-8-15-12-14(11-13(2)17)6-7-16(15)18/h6-8,10,12-13H,3-5,9,11,17H2,1-2H3
InChIKeyNVIRBYGBTVVGED-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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Related Compounds

1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
(1-butylindol-5-yl)methanol
CID 102912394
1-pentylindol-5-ol
CID 142952081
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765
1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine
CID 102917612
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
CID 102917572
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
(1-hexylindol-5-yl) hypobromite
CID 23151412
(1-octylindol-5-yl) hypobromite
CID 23151417
1-(3-chloropropyl)-5-(2-nitropropyl)indole
CID 141414138
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentylindol-5-yl)propan-2-amine?
The IUPAC name of 1-(1-pentylindol-5-yl)propan-2-amine (CID 102917546) is 1-(1-pentylindol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(1-pentylindol-5-yl)propan-2-amine?
The canonical SMILES for 1-(1-pentylindol-5-yl)propan-2-amine is CCCCCn1ccc2cc(CC(C)N)ccc21.
What is the InChIKey of 1-(1-pentylindol-5-yl)propan-2-amine?
The InChIKey is NVIRBYGBTVVGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-4-5-9-18-10-8-15-12-14(11-13(2)17)6-7-16(15)18/h6-8,10,12-13H,3-5,9,11,17H2,1-2H3.
What are the key properties of 1-(1-pentylindol-5-yl)propan-2-amine?
1-(1-pentylindol-5-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-5-yl)propan-2-amine is sourced from PubChem (CID 102917546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).