[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine

C10H17N — CID 130870814

IUPAC[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine
SMILESCC1(C)[C@H]2CC=C(CN)[C@@H]1C2
InChIInChI=1S/C10H17N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyQLYNKVYEESZNIS-IUCAKERBSA-N
MW151.25 g/mol
LogP1.94
Rot. Bonds1

About [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine

[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine (PubChem CID 130870814) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine.

Molecular Properties

Compound Name[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine
PubChem CID130870814
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine
SMILESCC1(C)[C@H]2CC=C(CN)[C@@H]1C2
InChIInChI=1S/C10H17N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6,11H2,1-2H3/t8-,9-/m0/s1
InChIKeyQLYNKVYEESZNIS-IUCAKERBSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.94
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 [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine?
The IUPAC name of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine (CID 130870814) is [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine.
What is the SMILES notation for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine?
The canonical SMILES for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine is CC1(C)[C@H]2CC=C(CN)[C@@H]1C2.
What is the InChIKey of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine?
The InChIKey is QLYNKVYEESZNIS-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-6,11H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine?
[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine has a molecular weight of 151.25 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanamine is sourced from PubChem (CID 130870814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).