2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine

C12H23NO — CID 123278546

IUPAC2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine
SMILESCCC(C)=C(C)C(CNC)=C(C)OC
InChIInChI=1S/C12H23NO/c1-7-9(2)10(3)12(8-13-5)11(4)14-6/h13H,7-8H2,1-6H3
InChIKeyCDOGYUOTFQUAJU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.87
Rot. Bonds5

About 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine

2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine (PubChem CID 123278546) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine.

Molecular Properties

Compound Name2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine
PubChem CID123278546
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine
SMILESCCC(C)=C(C)C(CNC)=C(C)OC
InChIInChI=1S/C12H23NO/c1-7-9(2)10(3)12(8-13-5)11(4)14-6/h13H,7-8H2,1-6H3
InChIKeyCDOGYUOTFQUAJU-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
CID 123395406
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dien-1-amine
CID 144268974
(E)-2-ethenyl-3-methoxy-N-methylbut-2-en-1-amine
CID 145606977
(E)-3-methoxy-N,2-dimethylhept-2-en-1-amine
CID 166817116
(Z,2Z)-2-(1-methoxyethylidene)-N-methylpent-3-en-1-amine
CID 144853398

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine?
The IUPAC name of 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine (CID 123278546) is 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine.
What is the SMILES notation for 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine?
The canonical SMILES for 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine is CCC(C)=C(C)C(CNC)=C(C)OC.
What is the InChIKey of 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine?
The InChIKey is CDOGYUOTFQUAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-9(2)10(3)12(8-13-5)11(4)14-6/h13H,7-8H2,1-6H3.
What are the key properties of 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine?
2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine is sourced from PubChem (CID 123278546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).