3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol

C15H30N2O — CID 104663685

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCN2CCCC2C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)14(7-10-18)16-12-6-9-17-8-4-5-13(17)11-12/h12-14,16,18H,4-11H2,1-3H3
InChIKeyXOBAPSPILVYAMD-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds4

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol (PubChem CID 104663685) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol
PubChem CID104663685
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NC1CCN2CCCC2C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)14(7-10-18)16-12-6-9-17-8-4-5-13(17)11-12/h12-14,16,18H,4-11H2,1-3H3
InChIKeyXOBAPSPILVYAMD-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol with MolForge

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Related Compounds

(2S)-2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3,3-dimethylbutanamide;dihydrochloride
CID 119854344
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
CID 109395540
N-[1-(1-methylcyclopropyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81298614
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pentan-2-ol
CID 107270318
N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103033505
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103928209
4,4-dimethyl-3-[(1-oxothian-4-yl)amino]pentan-1-ol
CID 106349010
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-cyclopropylthiourea
CID 115583574
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N,2,2-trimethylpropanamide
CID 103917229
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456
N-(4-propylcyclohexyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728588

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol (CID 104663685) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NC1CCN2CCCC2C1.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is XOBAPSPILVYAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)14(7-10-18)16-12-6-9-17-8-4-5-13(17)11-12/h12-14,16,18H,4-11H2,1-3H3.
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104663685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).