3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine

C14H29NO3 — CID 155235858

IUPAC3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOCC1COC(C)(C)OC1
InChIInChI=1S/C14H29NO3/c1-5-15(6-2)8-7-9-16-10-13-11-17-14(3,4)18-12-13/h13H,5-12H2,1-4H3
InChIKeyBTYWKLGPJNKNPP-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.13
Rot. Bonds8

About 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine

3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine (PubChem CID 155235858) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine
PubChem CID155235858
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCOCC1COC(C)(C)OC1
InChIInChI=1S/C14H29NO3/c1-5-15(6-2)8-7-9-16-10-13-11-17-14(3,4)18-12-13/h13H,5-12H2,1-4H3
InChIKeyBTYWKLGPJNKNPP-UHFFFAOYSA-N
XLogP2.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpropan-1-amine
CID 21354445
N,N,2-trimethyl-m-dioxane-5-methylamine
CID 21530553
N,N,2,2-tetramethyl-1,3-dioxane-5-methanamine
CID 60148682
4-[(2,2-Dimethyl-1,3-dioxan-5-yl)methyl]morpholine
CID 122436316
3,9-Dimethyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 126710478
2,7,7-Trimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 129299123
1-[(2,2-Dimethyl-1,3-dioxan-5-yl)methyl]pyrrolidine
CID 138749044
N,N-dimethyl-1-(2-methyl-2-propyl-1,3-dioxan-5-yl)methanamine
CID 138749047
1-[(2,2-Dimethyl-1,3-dioxan-5-yl)methyl]piperidine
CID 138749049
4-[(2-Ethyl-2-methyl-1,3-dioxan-5-yl)methyl]morpholine
CID 138749050
1-(1,3-dioxan-5-yl)-N,N-dimethylmethanamine
CID 144422676
2-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylethanamine
CID 155235864

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine (CID 155235858) is 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine is CCN(CC)CCCOCC1COC(C)(C)OC1.
What is the InChIKey of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine?
The InChIKey is BTYWKLGPJNKNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-5-15(6-2)8-7-9-16-10-13-11-17-14(3,4)18-12-13/h13H,5-12H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine?
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 155235858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).