3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine

C14H29NOS — CID 79963234

IUPAC3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)C1CSCCO1
InChIInChI=1S/C14H29NOS/c1-4-6-7-12(5-2)10-13(15-3)14-11-17-9-8-16-14/h12-15H,4-11H2,1-3H3
InChIKeyXJZHFBUHTZXYOI-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.31
Rot. Bonds8

About 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine

3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine (PubChem CID 79963234) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine
PubChem CID79963234
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)C1CSCCO1
InChIInChI=1S/C14H29NOS/c1-4-6-7-12(5-2)10-13(15-3)14-11-17-9-8-16-14/h12-15H,4-11H2,1-3H3
InChIKeyXJZHFBUHTZXYOI-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-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

N,3-diethyl-1-(1,4-oxathian-2-yl)heptan-1-amine
CID 79962851
N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
CID 79962336
3-ethyl-1-(1,4-oxathian-2-yl)heptan-1-ol
CID 79963099
N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 82922082
1-(1,4-oxathian-2-yl)heptylhydrazine
CID 105249713
1-(1,4-oxathian-2-yl)propylhydrazine
CID 105249656
N,2-dimethyl-1-(1,4-oxathian-2-yl)butan-1-amine
CID 79963836
[3-methyl-1-(1,4-oxathian-2-yl)pentyl]hydrazine
CID 105249722
4-methyl-1-(1,4-oxathian-2-yl)-N-propylpentan-1-amine
CID 79962761
3-ethyl-1-(4-ethylcyclohexyl)-N-methylheptan-1-amine
CID 65392509
3-ethyl-N-methyl-1-(2-methylcyclopentyl)heptan-1-amine
CID 107187935
1-(4,4-dimethylcyclohexyl)-3-ethyl-N-methylheptan-1-amine
CID 65391623

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine (CID 79963234) is 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine is CCCCC(CC)CC(NC)C1CSCCO1.
What is the InChIKey of 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine?
The InChIKey is XJZHFBUHTZXYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-6-7-12(5-2)10-13(15-3)14-11-17-9-8-16-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine?
3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(1,4-oxathian-2-yl)heptan-1-amine is sourced from PubChem (CID 79963234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).