1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine

C11H23NO2 — CID 115825177

IUPAC1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)C1COCCO1
InChIInChI=1S/C11H23NO2/c1-4-9(5-2)11(12-3)10-8-13-6-7-14-10/h9-12H,4-8H2,1-3H3
InChIKeyKPTWFGAIXASVMW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.43
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine

1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 115825177) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine
PubChem CID115825177
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)C1COCCO1
InChIInChI=1S/C11H23NO2/c1-4-9(5-2)11(12-3)10-8-13-6-7-14-10/h9-12H,4-8H2,1-3H3
InChIKeyKPTWFGAIXASVMW-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxan-2-yl)-N-methylheptan-1-amine
CID 65352208
1-(4-butan-2-ylphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 62800261
1-(1,4-dioxan-2-yl)-N-methylbut-3-en-1-amine
CID 65352217
1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine
CID 65351199
1-(1,4-dioxan-2-yl)ethanol
CID 57186415
1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 65352588
2-butan-2-yl-14-pentan-2-yl-8-propan-2-yl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 155062842
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
CID 65352894
N-[1,4-dioxan-2-yl-(4-ethylcyclohexyl)methyl]ethanamine
CID 65352228
1-(1,4-dioxan-2-yl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105036000
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 65352577
1-(1,4-dioxan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 68856315

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine (CID 115825177) is 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is KPTWFGAIXASVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-9(5-2)11(12-3)10-8-13-6-7-14-10/h9-12H,4-8H2,1-3H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine?
1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 115825177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).