2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine

C11H19NO — CID 121223423

IUPAC2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine
SMILESCOCC1(N(C)C)CC2C=CC1C2
InChIInChI=1S/C11H19NO/c1-12(2)11(8-13-3)7-9-4-5-10(11)6-9/h4-5,9-10H,6-8H2,1-3H3
InChIKeyJUZGSKMWJROGSC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.53
Rot. Bonds3

About 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine

2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 121223423) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine
PubChem CID121223423
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine
SMILESCOCC1(N(C)C)CC2C=CC1C2
InChIInChI=1S/C11H19NO/c1-12(2)11(8-13-3)7-9-4-5-10(11)6-9/h4-5,9-10H,6-8H2,1-3H3
InChIKeyJUZGSKMWJROGSC-UHFFFAOYSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine (CID 121223423) is 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine is COCC1(N(C)C)CC2C=CC1C2.
What is the InChIKey of 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is JUZGSKMWJROGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-12(2)11(8-13-3)7-9-4-5-10(11)6-9/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine?
2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N,N-dimethylbicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 121223423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).