2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine

C15H27N — CID 57039076

IUPAC2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine
SMILESCCC1=C(C=CN(C)C)C(C)(C)CC(C)C1
InChIInChI=1S/C15H27N/c1-7-13-10-12(2)11-15(3,4)14(13)8-9-16(5)6/h8-9,12H,7,10-11H2,1-6H3
InChIKeyJIMCTWAFJOJXPZ-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.22
Rot. Bonds3

About 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine

2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine (PubChem CID 57039076) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine
PubChem CID57039076
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine
SMILESCCC1=C(C=CN(C)C)C(C)(C)CC(C)C1
InChIInChI=1S/C15H27N/c1-7-13-10-12(2)11-15(3,4)14(13)8-9-16(5)6/h8-9,12H,7,10-11H2,1-6H3
InChIKeyJIMCTWAFJOJXPZ-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine?
The IUPAC name of 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine (CID 57039076) is 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine.
What is the SMILES notation for 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine?
The canonical SMILES for 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine is CCC1=C(C=CN(C)C)C(C)(C)CC(C)C1.
What is the InChIKey of 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine?
The InChIKey is JIMCTWAFJOJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-7-13-10-12(2)11-15(3,4)14(13)8-9-16(5)6/h8-9,12H,7,10-11H2,1-6H3.
What are the key properties of 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine?
2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine has a molecular weight of 221.39 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4,6,6-trimethylcyclohexen-1-yl)-N,N-dimethylethenamine is sourced from PubChem (CID 57039076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).