N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine

C12H25NO2 — CID 66472105

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCC1OCCCO1
InChIInChI=1S/C12H25NO2/c1-11(2)5-7-13(3)8-6-12-14-9-4-10-15-12/h11-12H,4-10H2,1-3H3
InChIKeyVAKCBRBNEQALFM-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.12
Rot. Bonds6

About N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine

N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine (PubChem CID 66472105) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine
PubChem CID66472105
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine
SMILESCC(C)CCN(C)CCC1OCCCO1
InChIInChI=1S/C12H25NO2/c1-11(2)5-7-13(3)8-6-12-14-9-4-10-15-12/h11-12H,4-10H2,1-3H3
InChIKeyVAKCBRBNEQALFM-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Butyl-6-ethoxy-5,5-dimethyl-1,3-oxazinane
CID 301090
N-[2-(1,3-dioxan-2-yl)ethyl]-N-methylpropan-2-amine
CID 21034300
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-(3,3-Diethoxypropoxymethyl)-1-methylpiperidine
CID 117957692
1-[(2,2-Dimethyl-1,3-dioxan-5-yl)methyl]pyrrolidine
CID 138749044
2-(1,3-dioxan-5-yl)-N,N-dimethylethanamine
CID 142709204
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-N,N-diethylpropan-1-amine
CID 155235858
1-[(2-Methyl-1,3-dioxan-5-yl)methyl]piperidine
CID 158168307
1-[(2-Methyl-1,3-dioxan-5-yl)methyl]pyrrolidine
CID 166659338
4-Methyl-1-[(2-methyl-1,3-dioxan-5-yl)methyl]piperidine
CID 166659354

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine (CID 66472105) is N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine is CC(C)CCN(C)CCC1OCCCO1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine?
The InChIKey is VAKCBRBNEQALFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)5-7-13(3)8-6-12-14-9-4-10-15-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine?
N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 66472105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).