8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane

C11H19N — CID 20594127

IUPAC8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane
SMILESCCC=C1CC2CCC(C1)N2C
InChIInChI=1S/C11H19N/c1-3-4-9-7-10-5-6-11(8-9)12(10)2/h4,10-11H,3,5-8H2,1-2H3
InChIKeyDXRDGLSTXKHNTE-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds1

About 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane

8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane (PubChem CID 20594127) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane
PubChem CID20594127
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane
SMILESCCC=C1CC2CCC(C1)N2C
InChIInChI=1S/C11H19N/c1-3-4-9-7-10-5-6-11(8-9)12(10)2/h4,10-11H,3,5-8H2,1-2H3
InChIKeyDXRDGLSTXKHNTE-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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
1-methyl-4-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
CID 44376874
8-Methyl-3-methylene-8-azabicyclo[3.2.1]octane
CID 145355
(2R)-1,2-bis(3-methylbut-2-enyl)pyrrolidine
CID 134905363
(2S)-1,2-bis(3-methylbut-2-enyl)pyrrolidine
CID 134975615
2-(2-Methylprop-1-enyl)-1-propylpiperidine
CID 134981020
2-[(Z)-2-methylbut-1-enyl]-1-propylpiperidine
CID 134981076
1-Methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium
CID 3125820
1-(6-Methylhept-5-en-2-yl)piperidine
CID 3803890
Gosodesmine
CID 177844131
Acetonitrile, (8-methyl-8-azabicyclo[3.2.1]oct-3-ylidene)-
CID 18940988

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane (CID 20594127) is 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane is CCC=C1CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane?
The InChIKey is DXRDGLSTXKHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-9-7-10-5-6-11(8-9)12(10)2/h4,10-11H,3,5-8H2,1-2H3.
What are the key properties of 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane?
8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane has a molecular weight of 165.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-propylidene-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 20594127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).