2-methoxy-2-methyl-N-propyloct-7-en-3-amine

C13H27NO — CID 79197465

IUPAC2-methoxy-2-methyl-N-propyloct-7-en-3-amine
SMILESC=CCCCC(NCCC)C(C)(C)OC
InChIInChI=1S/C13H27NO/c1-6-8-9-10-12(14-11-7-2)13(3,4)15-5/h6,12,14H,1,7-11H2,2-5H3
InChIKeyUYDLUOCGTZOVBV-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds9

About 2-methoxy-2-methyl-N-propyloct-7-en-3-amine

2-methoxy-2-methyl-N-propyloct-7-en-3-amine (PubChem CID 79197465) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-propyloct-7-en-3-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-propyloct-7-en-3-amine
PubChem CID79197465
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methoxy-2-methyl-N-propyloct-7-en-3-amine
SMILESC=CCCCC(NCCC)C(C)(C)OC
InChIInChI=1S/C13H27NO/c1-6-8-9-10-12(14-11-7-2)13(3,4)15-5/h6,12,14H,1,7-11H2,2-5H3
InChIKeyUYDLUOCGTZOVBV-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-2-methyl-N-propyloct-7-en-3-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-methoxy-2-methyl-N-propyloct-7-en-3-amine?
The IUPAC name of 2-methoxy-2-methyl-N-propyloct-7-en-3-amine (CID 79197465) is 2-methoxy-2-methyl-N-propyloct-7-en-3-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-propyloct-7-en-3-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-propyloct-7-en-3-amine is C=CCCCC(NCCC)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-N-propyloct-7-en-3-amine?
The InChIKey is UYDLUOCGTZOVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-9-10-12(14-11-7-2)13(3,4)15-5/h6,12,14H,1,7-11H2,2-5H3.
What are the key properties of 2-methoxy-2-methyl-N-propyloct-7-en-3-amine?
2-methoxy-2-methyl-N-propyloct-7-en-3-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-propyloct-7-en-3-amine is sourced from PubChem (CID 79197465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).