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

C12H24N2O2 — CID 106187583

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1CCN2CCCCC12
InChIInChI=1S/C12H24N2O2/c1-16-9-10(8-15)13-11-5-7-14-6-3-2-4-12(11)14/h10-13,15H,2-9H2,1H3
InChIKeyAMWRMOAVHWMHRN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.21
Rot. Bonds5

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

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol (PubChem CID 106187583) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol
PubChem CID106187583
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol
SMILESCOCC(CO)NC1CCN2CCCCC12
InChIInChI=1S/C12H24N2O2/c1-16-9-10(8-15)13-11-5-7-14-6-3-2-4-12(11)14/h10-13,15H,2-9H2,1H3
InChIKeyAMWRMOAVHWMHRN-UHFFFAOYSA-N
XLogP0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[(2-methoxycyclohexyl)amino]propan-1-ol
CID 106186803
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]cyclohexane-1-carbonitrile
CID 106190343
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)butanoate
CID 113292420
N-heptan-4-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752336
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518
N-(1-cyclohexylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783420
N-(1-pyrrolidin-1-ylpropan-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853044
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989689
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694255
N-[(1S)-1-cycloheptylethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852806
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)cyclohexyl]methanol
CID 114178522

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol (CID 106187583) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol is COCC(CO)NC1CCN2CCCCC12.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol?
The InChIKey is AMWRMOAVHWMHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-16-9-10(8-15)13-11-5-7-14-6-3-2-4-12(11)14/h10-13,15H,2-9H2,1H3.
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol has a molecular weight of 228.34 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-3-methoxypropan-1-ol is sourced from PubChem (CID 106187583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).