N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine

C12H21N — CID 175612437

IUPACN,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine
SMILESCC1CCC(CCN(C)C)C2=C1C2
InChIInChI=1S/C12H21N/c1-9-4-5-10(6-7-13(2)3)12-8-11(9)12/h9-10H,4-8H2,1-3H3
InChIKeyJUFQKROTNVKNFD-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.68
Rot. Bonds3

About N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine

N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine (PubChem CID 175612437) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine
PubChem CID175612437
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine
SMILESCC1CCC(CCN(C)C)C2=C1C2
InChIInChI=1S/C12H21N/c1-9-4-5-10(6-7-13(2)3)12-8-11(9)12/h9-10H,4-8H2,1-3H3
InChIKeyJUFQKROTNVKNFD-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine (CID 175612437) is N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine is CC1CCC(CCN(C)C)C2=C1C2.
What is the InChIKey of N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine?
The InChIKey is JUFQKROTNVKNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9-4-5-10(6-7-13(2)3)12-8-11(9)12/h9-10H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine?
N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methyl-2-bicyclo[4.1.0]hept-1(6)-enyl)ethanamine is sourced from PubChem (CID 175612437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).