3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C18H33NO — CID 171955867

IUPAC3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCCCCCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C18H33NO/c1-3-4-5-6-7-8-9-10-13-18(20)14-16-11-12-17(15-18)19(16)2/h3,16-17,20H,1,4-15H2,2H3
InChIKeyIUXZETQXHCLXCH-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds9

About 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171955867) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171955867
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCCCCCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C18H33NO/c1-3-4-5-6-7-8-9-10-13-18(20)14-16-11-12-17(15-18)19(16)2/h3,16-17,20H,1,4-15H2,2H3
InChIKeyIUXZETQXHCLXCH-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-hydroxy-3-non-8-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171960218
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
7-but-3-enyl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171952648
3-but-3-ynyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952605
3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
CID 171952392
8-methyl-3-(2-methylprop-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952463
9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953156
9H-fluoren-9-ylmethyl 3-hydroxy-3-undec-10-enyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171962653
cis-(1S,2S)-2-non-8-enyl-1-propan-2-ylcyclopropan-1-ol
CID 102123336
3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964213
3-chloro-1-hept-6-enyl-1-methylcyclopentane
CID 107010557
benzyl 7-hex-5-enyl-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171952121

Frequently Asked Questions

What is the IUPAC name of 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171955867) is 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCCCCCCCCC1(O)CC2CCC(C1)N2C.
What is the InChIKey of 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is IUXZETQXHCLXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-4-5-6-7-8-9-10-13-18(20)14-16-11-12-17(15-18)19(16)2/h3,16-17,20H,1,4-15H2,2H3.
What are the key properties of 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 279.47 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171955867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).