2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine

C12H23NO — CID 138526720

IUPAC2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine
SMILESCCC1C=C(OCCN)CC(C)CC1
InChIInChI=1S/C12H23NO/c1-3-11-5-4-10(2)8-12(9-11)14-7-6-13/h9-11H,3-8,13H2,1-2H3
InChIKeyGJGNAYIMXSRNFL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.69
Rot. Bonds4

About 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine

2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine (PubChem CID 138526720) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine.

Molecular Properties

Compound Name2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine
PubChem CID138526720
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine
SMILESCCC1C=C(OCCN)CC(C)CC1
InChIInChI=1S/C12H23NO/c1-3-11-5-4-10(2)8-12(9-11)14-7-6-13/h9-11H,3-8,13H2,1-2H3
InChIKeyGJGNAYIMXSRNFL-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine?
The IUPAC name of 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine (CID 138526720) is 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine.
What is the SMILES notation for 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine?
The canonical SMILES for 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine is CCC1C=C(OCCN)CC(C)CC1.
What is the InChIKey of 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine?
The InChIKey is GJGNAYIMXSRNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-11-5-4-10(2)8-12(9-11)14-7-6-13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine?
2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methylcyclohepten-1-yl)oxyethanamine is sourced from PubChem (CID 138526720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).