3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol

C16H24N2O — CID 106284510

IUPAC3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2O/c1-3-12(4-2)16(19)11-17-9-13-10-18-15-8-6-5-7-14(13)15/h5-8,10,12,16-19H,3-4,9,11H2,1-2H3
InChIKeyKVWHFGMIUNOKBG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.05
Rot. Bonds7

About 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol

3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol (PubChem CID 106284510) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
PubChem CID106284510
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C16H24N2O/c1-3-12(4-2)16(19)11-17-9-13-10-18-15-8-6-5-7-14(13)15/h5-8,10,12,16-19H,3-4,9,11H2,1-2H3
InChIKeyKVWHFGMIUNOKBG-UHFFFAOYSA-N
XLogP3.05
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115121376
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CID 62646036
2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
CID 115120563
1-cyclopropyl-2-(1H-indol-3-ylmethylamino)ethanol
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(1H-indol-3-ylmethylamino)methanol
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CID 55024666
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-(1H-indol-3-ylmethyl)-2-piperidin-1-ylpropan-1-amine
CID 61034726
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
2-(1H-indol-3-ylmethylamino)propanoic acid
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2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol (CID 106284510) is 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol is CCC(CC)C(O)CNCc1c[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol?
The InChIKey is KVWHFGMIUNOKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-12(4-2)16(19)11-17-9-13-10-18-15-8-6-5-7-14(13)15/h5-8,10,12,16-19H,3-4,9,11H2,1-2H3.
What are the key properties of 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol?
3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol is sourced from PubChem (CID 106284510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).