(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol

C11H22N2O — CID 103906359

IUPAC(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
SMILESC[C@H](O)CNC1CCN2CCCC2C1
InChIInChI=1S/C11H22N2O/c1-9(14)8-12-10-4-6-13-5-2-3-11(13)7-10/h9-12,14H,2-8H2,1H3/t9-,10?,11?/m0/s1
InChIKeyQPBONRRWOBDJIK-WHXUTIOJSA-N
MW198.31 g/mol
LogP0.58
Rot. Bonds3

About (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol

(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol (PubChem CID 103906359) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
PubChem CID103906359
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
SMILESC[C@H](O)CNC1CCN2CCCC2C1
InChIInChI=1S/C11H22N2O/c1-9(14)8-12-10-4-6-13-5-2-3-11(13)7-10/h9-12,14H,2-8H2,1H3/t9-,10?,11?/m0/s1
InChIKeyQPBONRRWOBDJIK-WHXUTIOJSA-N
XLogP0.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol with MolForge

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Related Compounds

N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318
(2R)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906841
(2S)-1-[(1,2-dimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906506
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
(2R)-1-[(1-iodopiperidin-4-yl)amino]propan-2-ol
CID 134342012
(2R)-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 93033302
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
CID 109395540
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115894020
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide
CID 103917229
N-(3-propan-2-ylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103847608

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol (CID 103906359) is (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol is C[C@H](O)CNC1CCN2CCCC2C1.
What is the InChIKey of (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol?
The InChIKey is QPBONRRWOBDJIK-WHXUTIOJSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(14)8-12-10-4-6-13-5-2-3-11(13)7-10/h9-12,14H,2-8H2,1H3/t9-,10?,11?/m0/s1.
What are the key properties of (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol?
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol is sourced from PubChem (CID 103906359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).