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

C11H19N — CID 11829794

IUPAC1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
SMILESCNCC1=CC[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H19N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10,12H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyQSPCLEPMLDKEQT-NXEZZACHSA-N
MW165.28 g/mol
LogP2.20
Rot. Bonds2

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

1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine (PubChem CID 11829794) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
PubChem CID11829794
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine
SMILESCNCC1=CC[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H19N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10,12H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyQSPCLEPMLDKEQT-NXEZZACHSA-N
XLogP2.20
TPSA12.03 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
(Z)-2-[2-(1-fluoro-3-methylcyclobutyl)ethyl]-N-methylbut-2-en-1-amine
CID 146537166
4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-amine
CID 245838
[(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]trimethylammonium bromide
CID 14634829
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]butan-1-amine
CID 73110433
N-{[(1s,5r)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methyl}ethane-1,2-diamine
CID 129747820
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]ethanamine
CID 129995660
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine
CID 134895590
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine
CID 134895693
(1S,2S,5S)-N,N,4,6,6-pentamethylbicyclo[3.1.1]hept-3-en-2-amine
CID 253067

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The IUPAC name of 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine (CID 11829794) is 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine is CNCC1=CC[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
The InChIKey is QSPCLEPMLDKEQT-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10,12H,5-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine?
1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine has a molecular weight of 165.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-N-methylmethanamine is sourced from PubChem (CID 11829794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).