R-Azabisabolene

C14H26N+ — CID 5289266

IUPACmethyl-[(1S)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium
SMILESCC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C
InChIInChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1
InChIKeyGGPFTSMJRHEOJG-CQSZACIVSA-O
MW208.36 g/mol
LogP3.70
Rot. Bonds4

About R-Azabisabolene

R-Azabisabolene (PubChem CID 5289266) has the molecular formula C14H26N+ and a molecular weight of 208.36 g/mol. Its IUPAC name is methyl-[(1S)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium.

Molecular Properties

Compound NameR-Azabisabolene
PubChem CID5289266
Molecular FormulaC14H26N+
Molecular Weight208.36 g/mol
Exact Mass208.21
IUPAC Namemethyl-[(1S)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium
SMILESCC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C
InChIInChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1
InChIKeyGGPFTSMJRHEOJG-CQSZACIVSA-O
XLogP3.70
TPSA4.40 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity246

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Isometheptene
CID 22297
(1S)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657066
(1R)-N,4-Dimethyl-N-(4-methylpent-3-enyl)cyclohex-3-enaminium
CID 657068
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
N-(2-cyclopentylideneethyl)cyclohexanamine
CID 23646101
(1R)-N,N,4-trimethylcyclohex-3-en-1-amine
CID 447259
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
(2R,6R)-2-Methyl-6-(1E)-1-propen-1-ylpiperidine
CID 5281689
N-(2-cyclohexylideneethyl)cyclohexanamine
CID 23646103
Isometheptene-mucate
CID 6604597

Frequently Asked Questions

What is the IUPAC name of R-Azabisabolene?
The IUPAC name of R-Azabisabolene (CID 5289266) is methyl-[(1S)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium.
What is the SMILES notation for R-Azabisabolene?
The canonical SMILES for R-Azabisabolene is CC1=CC[C@H](CC1)[NH+](C)CCC=C(C)C.
What is the InChIKey of R-Azabisabolene?
The InChIKey is GGPFTSMJRHEOJG-CQSZACIVSA-O. The full InChI is InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m1/s1.
What are the key properties of R-Azabisabolene?
R-Azabisabolene has a molecular weight of 208.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for R-Azabisabolene is sourced from PubChem (CID 5289266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).