1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol

C12H17N3O — CID 115121376

IUPAC1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol
SMILESNCC(O)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C12H17N3O/c13-5-10(16)8-14-6-9-7-15-12-4-2-1-3-11(9)12/h1-4,7,10,14-16H,5-6,8,13H2
InChIKeyGLJKYTJIVYLYQY-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.58
Rot. Bonds5

About 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol

1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol (PubChem CID 115121376) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol
PubChem CID115121376
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol
SMILESNCC(O)CNCc1c[nH]c2ccccc12
InChIInChI=1S/C12H17N3O/c13-5-10(16)8-14-6-9-7-15-12-4-2-1-3-11(9)12/h1-4,7,10,14-16H,5-6,8,13H2
InChIKeyGLJKYTJIVYLYQY-UHFFFAOYSA-N
XLogP0.58
TPSA74.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115120563
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CID 63295277
3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
CID 106284510
(1H-indol-3-ylmethylamino)methanol
CID 115228988
2-fluoro-3-(1H-indol-3-yl)propan-1-amine
CID 134163133
3-(1H-indol-3-ylmethylamino)-2-methylpropanenitrile
CID 62646036
1-N-(1H-indol-3-ylmethyl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 55024666
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
1-(1H-indol-3-yl)-3-(methylamino)propan-2-ol
CID 83638401
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-(1H-indol-3-yl)propane-1,1-diol
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1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol (CID 115121376) is 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol is NCC(O)CNCc1c[nH]c2ccccc12.
What is the InChIKey of 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol?
The InChIKey is GLJKYTJIVYLYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-5-10(16)8-14-6-9-7-15-12-4-2-1-3-11(9)12/h1-4,7,10,14-16H,5-6,8,13H2.
What are the key properties of 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol?
1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol has a molecular weight of 219.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1H-indol-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 115121376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).