5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol

C15H22N2O — CID 82118518

IUPAC5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
SMILESOCCCCCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c18-11-5-1-4-9-16-10-8-13-12-17-15-7-3-2-6-14(13)15/h2-3,6-7,12,16-18H,1,4-5,8-11H2
InChIKeyBXJUZMWKUFVBCD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.46
Rot. Bonds8

About 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol

5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol (PubChem CID 82118518) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
PubChem CID82118518
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol
SMILESOCCCCCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2O/c18-11-5-1-4-9-16-10-8-13-12-17-15-7-3-2-6-14(13)15/h2-3,6-7,12,16-18H,1,4-5,8-11H2
InChIKeyBXJUZMWKUFVBCD-UHFFFAOYSA-N
XLogP2.46
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
1-(3-hydroxypropyl)-3-[3-(1H-indol-3-yl)propyl]urea
CID 111108819
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N',N'-diethyl-N-[2-(1H-indol-3-yl)ethyl]ethane-1,2-diamine
CID 82089991
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-[[2-(1H-indol-3-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81411810
1-(3-chlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]ethanol
CID 11163954
4-[1-hydroxy-3-(1H-indol-3-yl)propoxy]butan-1-ol
CID 155203686

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol (CID 82118518) is 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol is OCCCCCNCCc1c[nH]c2ccccc12.
What is the InChIKey of 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol?
The InChIKey is BXJUZMWKUFVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c18-11-5-1-4-9-16-10-8-13-12-17-15-7-3-2-6-14(13)15/h2-3,6-7,12,16-18H,1,4-5,8-11H2.
What are the key properties of 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol?
5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)ethylamino]pentan-1-ol is sourced from PubChem (CID 82118518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).