8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine

C11H20N2 — CID 59403606

IUPAC8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCC1(N)CC2CCC(C1)N2C
InChIInChI=1S/C11H20N2/c1-3-6-11(12)7-9-4-5-10(8-11)13(9)2/h3,9-10H,1,4-8,12H2,2H3
InChIKeyMCTAWSRFJRPYER-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.52
Rot. Bonds2

About 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine

8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 59403606) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID59403606
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=CCC1(N)CC2CCC(C1)N2C
InChIInChI=1S/C11H20N2/c1-3-6-11(12)7-9-4-5-10(8-11)13(9)2/h3,9-10H,1,4-8,12H2,2H3
InChIKeyMCTAWSRFJRPYER-UHFFFAOYSA-N
XLogP1.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine (CID 59403606) is 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine is C=CCC1(N)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MCTAWSRFJRPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-6-11(12)7-9-4-5-10(8-11)13(9)2/h3,9-10H,1,4-8,12H2,2H3.
What are the key properties of 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine?
8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 180.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 59403606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).