4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine

C14H24N2O — CID 123319213

IUPAC4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine
SMILESC=CCCC(CCCN)CC1=CCN=C(C)O1
InChIInChI=1S/C14H24N2O/c1-3-4-6-13(7-5-9-15)11-14-8-10-16-12(2)17-14/h3,8,13H,1,4-7,9-11,15H2,2H3
InChIKeyWRLTYAQIMQZECC-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.03
Rot. Bonds8

About 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine

4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine (PubChem CID 123319213) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine.

Molecular Properties

Compound Name4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine
PubChem CID123319213
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine
SMILESC=CCCC(CCCN)CC1=CCN=C(C)O1
InChIInChI=1S/C14H24N2O/c1-3-4-6-13(7-5-9-15)11-14-8-10-16-12(2)17-14/h3,8,13H,1,4-7,9-11,15H2,2H3
InChIKeyWRLTYAQIMQZECC-UHFFFAOYSA-N
XLogP3.03
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-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

Related Compounds

4-(6-methyl-4H-pyran-2-yl)oct-7-en-1-amine
CID 123815021

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine?
The IUPAC name of 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine (CID 123319213) is 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine.
What is the SMILES notation for 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine?
The canonical SMILES for 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine is C=CCCC(CCCN)CC1=CCN=C(C)O1.
What is the InChIKey of 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine?
The InChIKey is WRLTYAQIMQZECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-4-6-13(7-5-9-15)11-14-8-10-16-12(2)17-14/h3,8,13H,1,4-7,9-11,15H2,2H3.
What are the key properties of 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine?
4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4H-1,3-oxazin-6-yl)methyl]oct-7-en-1-amine is sourced from PubChem (CID 123319213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).