N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine

C13H27NO2 — CID 58297252

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine
SMILESCN(C[C@@H]1COCCO1)C(C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-12(2,3)13(4,5)14(6)9-11-10-15-7-8-16-11/h11H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyJKEVVMQJHKWLGY-LLVKDONJSA-N
MW229.36 g/mol
LogP2.16
Rot. Bonds3

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine (PubChem CID 58297252) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine
PubChem CID58297252
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine
SMILESCN(C[C@@H]1COCCO1)C(C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO2/c1-12(2,3)13(4,5)14(6)9-11-10-15-7-8-16-11/h11H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyJKEVVMQJHKWLGY-LLVKDONJSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-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-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 126515563
N,2,3,3-tetramethyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 58297160
1,4-dioxan-2-ylmethyl(methyl)carbamic acid
CID 68851137
tert-butyl-[1,4-dioxan-2-ylmethyl(methyl)sulfamoyl]carbamic acid
CID 66972068
ethane;2-ethyl-1,4-dioxane
CID 170734415
2-[1,4-dioxan-2-ylmethyl(methyl)amino]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-methylpropanamide
CID 70820826
2-(iodomethyl)-1,4,7,10,13-pentaoxacyclopentadecane
CID 11760168
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
[(2S)-1,4-dioxan-2-yl]methyl-methylazanium
CID 6983654
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 125446643
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
CID 125446642
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethanamine
CID 5080255

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine (CID 58297252) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine is CN(C[C@@H]1COCCO1)C(C)(C)C(C)(C)C.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine?
The InChIKey is JKEVVMQJHKWLGY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2,3)13(4,5)14(6)9-11-10-15-7-8-16-11/h11H,7-10H2,1-6H3/t11-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine has a molecular weight of 229.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2,3,3-tetramethylbutan-2-amine is sourced from PubChem (CID 58297252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).