(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol

C13H18N2O — CID 171268293

IUPAC(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
SMILESCCC[C@@H](O)[C@@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2O/c1-2-3-12(16)13(14)10-5-4-9-6-7-15-11(9)8-10/h4-8,12-13,15-16H,2-3,14H2,1H3/t12-,13+/m1/s1
InChIKeyUHFGEZTUCIQPHG-OLZOCXBDSA-N
MW218.30 g/mol
LogP2.33
Rot. Bonds4

About (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol

(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol (PubChem CID 171268293) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
PubChem CID171268293
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
SMILESCCC[C@@H](O)[C@@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2O/c1-2-3-12(16)13(14)10-5-4-9-6-7-15-11(9)8-10/h4-8,12-13,15-16H,2-3,14H2,1H3/t12-,13+/m1/s1
InChIKeyUHFGEZTUCIQPHG-OLZOCXBDSA-N
XLogP2.33
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
CID 171262623
(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
(1S)-1-(1H-indol-6-yl)pentan-1-amine
CID 171225173
(1R)-1-(1H-indol-6-yl)-2-methylbutan-1-amine
CID 171205624
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
CID 171268278
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
3-amino-1-(1H-indol-6-yl)propane-1,2-diol
CID 170828204
1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol (CID 171268293) is (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol is CCC[C@@H](O)[C@@H](N)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol?
The InChIKey is UHFGEZTUCIQPHG-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-3-12(16)13(14)10-5-4-9-6-7-15-11(9)8-10/h4-8,12-13,15-16H,2-3,14H2,1H3/t12-,13+/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol?
(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol is sourced from PubChem (CID 171268293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).