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

C15H30N2O — CID 109395540

IUPAC5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCNC1CCN2CCCC2C1
InChIInChI=1S/C15H30N2O/c1-15(2,12-18)7-4-8-16-13-6-10-17-9-3-5-14(17)11-13/h13-14,16,18H,3-12H2,1-2H3
InChIKeyRUSHSDJCUWLPJB-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.00
Rot. Bonds6

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

5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol (PubChem CID 109395540) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
PubChem CID109395540
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol
SMILESCC(C)(CO)CCCNC1CCN2CCCC2C1
InChIInChI=1S/C15H30N2O/c1-15(2,12-18)7-4-8-16-13-6-10-17-9-3-5-14(17)11-13/h13-14,16,18H,3-12H2,1-2H3
InChIKeyRUSHSDJCUWLPJB-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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

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Related Compounds

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
(2S)-1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)propan-2-ol
CID 103906359
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-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 104562707
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4,4-dimethylpentan-1-ol
CID 104663685
(7R,8aR)-N-[2-(3-methylbutoxy)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 97236856
1-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 110028311
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-N-(2-methoxyethyl)propanamide
CID 115765451
N-(2-cyclopropylpropyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 115765456
(7R,8aS)-N-[3-(3-methoxyphenyl)propyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 129421879

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol?
The IUPAC name of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol (CID 109395540) is 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol.
What is the SMILES notation for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol?
The canonical SMILES for 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol is CC(C)(CO)CCCNC1CCN2CCCC2C1.
What is the InChIKey of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol?
The InChIKey is RUSHSDJCUWLPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,12-18)7-4-8-16-13-6-10-17-9-3-5-14(17)11-13/h13-14,16,18H,3-12H2,1-2H3.
What are the key properties of 5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol?
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-2,2-dimethylpentan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 2.00, 6 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)-2,2-dimethylpentan-1-ol is sourced from PubChem (CID 109395540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).