2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine

C15H29NO — CID 134386348

IUPAC2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine
SMILESC=CC(=C)CCC(CC)(CNC(C)C)COC
InChIInChI=1S/C15H29NO/c1-7-14(5)9-10-15(8-2,12-17-6)11-16-13(3)4/h7,13,16H,1,5,8-12H2,2-4,6H3
InChIKeyGYKRCRGURREHJN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds10

About 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine

2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine (PubChem CID 134386348) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine
PubChem CID134386348
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine
SMILESC=CC(=C)CCC(CC)(CNC(C)C)COC
InChIInChI=1S/C15H29NO/c1-7-14(5)9-10-15(8-2,12-17-6)11-16-13(3)4/h7,13,16H,1,5,8-12H2,2-4,6H3
InChIKeyGYKRCRGURREHJN-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine?
The IUPAC name of 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine (CID 134386348) is 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine.
What is the SMILES notation for 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine?
The canonical SMILES for 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine is C=CC(=C)CCC(CC)(CNC(C)C)COC.
What is the InChIKey of 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine?
The InChIKey is GYKRCRGURREHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-14(5)9-10-15(8-2,12-17-6)11-16-13(3)4/h7,13,16H,1,5,8-12H2,2-4,6H3.
What are the key properties of 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine?
2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methoxymethyl)-5-methylidene-N-propan-2-ylhept-6-en-1-amine is sourced from PubChem (CID 134386348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).