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

C11H23NO2 — CID 126515563

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)C[C@@H]1COCCO1
InChIInChI=1S/C11H23NO2/c1-5-11(2,3)12(4)8-10-9-13-6-7-14-10/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeySNZPBDZQDJKPRJ-SNVBAGLBSA-N
MW201.31 g/mol
LogP1.52
Rot. Bonds4

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

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine (PubChem CID 126515563) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine
PubChem CID126515563
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)C[C@@H]1COCCO1
InChIInChI=1S/C11H23NO2/c1-5-11(2,3)12(4)8-10-9-13-6-7-14-10/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeySNZPBDZQDJKPRJ-SNVBAGLBSA-N
XLogP1.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine (CID 126515563) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)C[C@@H]1COCCO1.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is SNZPBDZQDJKPRJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-11(2,3)12(4)8-10-9-13-6-7-14-10/h10H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 1.52, 4 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-dimethylbutan-2-amine is sourced from PubChem (CID 126515563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).