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

C13H26N2O — CID 107270318

IUPAC5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
SMILESCC(O)CCCNC1CCN2CCCC2C1
InChIInChI=1S/C13H26N2O/c1-11(16)4-2-7-14-12-6-9-15-8-3-5-13(15)10-12/h11-14,16H,2-10H2,1H3
InChIKeyDHJZECHXPNMWAW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.36
Rot. Bonds5

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

5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol (PubChem CID 107270318) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
PubChem CID107270318
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
SMILESCC(O)CCCNC1CCN2CCCC2C1
InChIInChI=1S/C13H26N2O/c1-11(16)4-2-7-14-12-6-9-15-8-3-5-13(15)10-12/h11-14,16H,2-10H2,1H3
InChIKeyDHJZECHXPNMWAW-UHFFFAOYSA-N
XLogP1.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
CID 109395540
5-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 107270322
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456
N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103033505
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
CID 107270410
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115894020
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104562707
5-[(2,6-dimethyloxan-4-yl)amino]pentan-2-ol
CID 107267685
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol?
The IUPAC name of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol (CID 107270318) is 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol.
What is the SMILES notation for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol?
The canonical SMILES for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol is CC(O)CCCNC1CCN2CCCC2C1.
What is the InChIKey of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol?
The InChIKey is DHJZECHXPNMWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(16)4-2-7-14-12-6-9-15-8-3-5-13(15)10-12/h11-14,16H,2-10H2,1H3.
What are the key properties of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol?
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol is sourced from PubChem (CID 107270318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).