N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine

C11H23NO2 — CID 103461370

IUPACN-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC1CCOCO1
InChIInChI=1S/C11H23NO2/c1-4-11(2,3)8-12-7-10-5-6-13-9-14-10/h10,12H,4-9H2,1-3H3
InChIKeyTZQPUICBMRVKRM-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.78
Rot. Bonds5

About N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine

N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine (PubChem CID 103461370) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine
PubChem CID103461370
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC1CCOCO1
InChIInChI=1S/C11H23NO2/c1-4-11(2,3)8-12-7-10-5-6-13-9-14-10/h10,12H,4-9H2,1-3H3
InChIKeyTZQPUICBMRVKRM-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide
CID 106277044
2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol
CID 81101332
1-cyclopropyl-N-(1,3-dioxan-4-ylmethyl)methanamine
CID 81101660
2-(1,3-dioxan-4-ylmethylamino)-2-methylpropan-1-ol
CID 81102671
N-(1,3-dioxan-4-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 81102550
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 106011037
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine
CID 105022122
N-(1,3-dioxan-4-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107418278
N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 81101810
1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 81102296

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine (CID 103461370) is N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCC1CCOCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine?
The InChIKey is TZQPUICBMRVKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-11(2,3)8-12-7-10-5-6-13-9-14-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine?
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103461370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).