7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol

C16H31NO — CID 162993696

IUPAC7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol
SMILESCC1CCC(CCCCCCCO)N2CCCC12
InChIInChI=1S/C16H31NO/c1-14-10-11-15(17-12-7-9-16(14)17)8-5-3-2-4-6-13-18/h14-16,18H,2-13H2,1H3
InChIKeyAPMYDBPENKLBFT-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.58
Rot. Bonds7

About 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol

7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol (PubChem CID 162993696) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol.

Molecular Properties

Compound Name7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol
PubChem CID162993696
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol
SMILESCC1CCC(CCCCCCCO)N2CCCC12
InChIInChI=1S/C16H31NO/c1-14-10-11-15(17-12-7-9-16(14)17)8-5-3-2-4-6-13-18/h14-16,18H,2-13H2,1H3
InChIKeyAPMYDBPENKLBFT-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
CID 11777143
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexane-1-carbonitrile
CID 62467729
[1-(2-methylcyclohexyl)pyrrolidin-2-yl]methanamine
CID 115311555
(5-propyl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl)methanol
CID 14265397
3-heptyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 10536398
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]cyclohexan-1-one
CID 62467066
5-(3,4-dimethylcyclohexyl)pentan-1-ol
CID 126691015
(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile
CID 101050444
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
8-ethyl-5-pent-4-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 72998723
2-[(5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl]ethanol
CID 130941698
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070

Frequently Asked Questions

What is the IUPAC name of 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol?
The IUPAC name of 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol (CID 162993696) is 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol.
What is the SMILES notation for 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol?
The canonical SMILES for 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol is CC1CCC(CCCCCCCO)N2CCCC12.
What is the InChIKey of 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol?
The InChIKey is APMYDBPENKLBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14-10-11-15(17-12-7-9-16(14)17)8-5-3-2-4-6-13-18/h14-16,18H,2-13H2,1H3.
What are the key properties of 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol?
7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol is sourced from PubChem (CID 162993696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).