1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine

C13H27NO2 — CID 65352588

IUPAC1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)C1COCCO1
InChIInChI=1S/C13H27NO2/c1-4-6-11(3)9-12(14-5-2)13-10-15-7-8-16-13/h11-14H,4-10H2,1-3H3
InChIKeyMUOBICWWQVLXJZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds7

About 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine

1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine (PubChem CID 65352588) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine
PubChem CID65352588
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)C1COCCO1
InChIInChI=1S/C13H27NO2/c1-4-6-11(3)9-12(14-5-2)13-10-15-7-8-16-13/h11-14H,4-10H2,1-3H3
InChIKeyMUOBICWWQVLXJZ-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-(4-methylmorpholin-2-yl)hexan-1-amine
CID 79093453
N-ethyl-3-methyl-1-(3-methyloxan-4-yl)hexan-1-amine
CID 114241922
2-(3,5-dimethylphenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 65352785
3-methyl-1-(4-methylmorpholin-2-yl)-N-propylhexan-1-amine
CID 79093366
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
CID 65352894
1-(1,4-dioxan-2-yl)-3-methylpentan-1-amine
CID 65351199
1-(1,4-dioxan-2-yl)-N-methylheptan-1-amine
CID 65352208
2-(2-bromo-3-fluorophenyl)-1-(1,4-dioxan-2-yl)-N-ethylethanamine
CID 114287335
1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050021
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1,4-dioxan-2-yl)-N-ethylpropan-1-amine
CID 65444594
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-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 62804886

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine (CID 65352588) is 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine is CCCC(C)CC(NCC)C1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine?
The InChIKey is MUOBICWWQVLXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-6-11(3)9-12(14-5-2)13-10-15-7-8-16-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine?
1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 7 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)-N-ethyl-3-methylhexan-1-amine is sourced from PubChem (CID 65352588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).