1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol

C16H29NO — CID 107008693

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H29NO/c1-3-4-5-6-7-8-16(18)13-11-14-9-10-15(12-13)17(14)2/h3,13-16,18H,1,4-12H2,2H3
InChIKeyDZYKMYQHBGOWJC-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds7

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol (PubChem CID 107008693) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol
PubChem CID107008693
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)C1CC2CCC(C1)N2C
InChIInChI=1S/C16H29NO/c1-3-4-5-6-7-8-16(18)13-11-14-9-10-15(12-13)17(14)2/h3,13-16,18H,1,4-12H2,2H3
InChIKeyDZYKMYQHBGOWJC-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
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'}

Analyze 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-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

1-(8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol
CID 57910935
1-(2,2,6,6-Tetramethylpiperidin-1-yl)undec-10-en-4-ol
CID 70252223
(1S,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 1503687
8-Methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 4916803
(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6987598
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10352802
(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10442070
(1S,5S)-8-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 100662151
8-(3-Methylhex-5-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104168046
2-(1-Hept-6-enylpyrrolidin-2-yl)cyclohexan-1-ol
CID 107011018
2-(1-Hept-6-enylpiperidin-2-yl)cyclopentan-1-ol
CID 107011020

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol (CID 107008693) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol is C=CCCCCCC(O)C1CC2CCC(C1)N2C.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol?
The InChIKey is DZYKMYQHBGOWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-4-5-6-7-8-16(18)13-11-14-9-10-15(12-13)17(14)2/h3,13-16,18H,1,4-12H2,2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol has a molecular weight of 251.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol is sourced from PubChem (CID 107008693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).