2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine

C11H21NO — CID 23238003

IUPAC2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOC1=CCCCCC1
InChIInChI=1S/C11H21NO/c1-12(2)9-10-13-11-7-5-3-4-6-8-11/h7H,3-6,8-10H2,1-2H3
InChIKeyGQKDAOBUFHJSQX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.41
Rot. Bonds4

About 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine

2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine (PubChem CID 23238003) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine
PubChem CID23238003
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOC1=CCCCCC1
InChIInChI=1S/C11H21NO/c1-12(2)9-10-13-11-7-5-3-4-6-8-11/h7H,3-6,8-10H2,1-2H3
InChIKeyGQKDAOBUFHJSQX-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine (CID 23238003) is 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine is CN(C)CCOC1=CCCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine?
The InChIKey is GQKDAOBUFHJSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12(2)9-10-13-11-7-5-3-4-6-8-11/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine?
2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine has a molecular weight of 183.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yloxy)-N,N-dimethylethanamine is sourced from PubChem (CID 23238003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).