2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine

C11H19N — CID 54308163

IUPAC2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine
SMILESCC1(C)C2CC=C(CCN)[C@H]1C2
InChIInChI=1S/C11H19N/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10H,4-7,12H2,1-2H3/t9?,10-/m1/s1
InChIKeySIZTVXYVPBPGJR-QVDQXJPCSA-N
MW165.28 g/mol
LogP2.33
Rot. Bonds2

About 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine

2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine (PubChem CID 54308163) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine.

Molecular Properties

Compound Name2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine
PubChem CID54308163
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine
SMILESCC1(C)C2CC=C(CCN)[C@H]1C2
InChIInChI=1S/C11H19N/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10H,4-7,12H2,1-2H3/t9?,10-/m1/s1
InChIKeySIZTVXYVPBPGJR-QVDQXJPCSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine?
The IUPAC name of 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine (CID 54308163) is 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine.
What is the SMILES notation for 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine?
The canonical SMILES for 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine is CC1(C)C2CC=C(CCN)[C@H]1C2.
What is the InChIKey of 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine?
The InChIKey is SIZTVXYVPBPGJR-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H19N/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10H,4-7,12H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine?
2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine has a molecular weight of 165.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanamine is sourced from PubChem (CID 54308163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).