3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide

C11H22N2O3 — CID 106277044

IUPAC3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC1CCOCO1
InChIInChI=1S/C11H22N2O3/c1-11(2,10(14)12-3)7-13-6-9-4-5-15-8-16-9/h9,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyDSKPNDAXOFBLNL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.11
Rot. Bonds5

About 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide

3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide (PubChem CID 106277044) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide
PubChem CID106277044
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC1CCOCO1
InChIInChI=1S/C11H22N2O3/c1-11(2,10(14)12-3)7-13-6-9-4-5-15-8-16-9/h9,13H,4-8H2,1-3H3,(H,12,14)
InChIKeyDSKPNDAXOFBLNL-UHFFFAOYSA-N
XLogP0.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-3-(oxolan-2-ylmethylamino)propanamide
CID 106275769
N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
CID 115749017
N-(1,3-dioxan-4-ylmethyl)-2,2-dimethylbutan-1-amine
CID 103461370
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-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
CID 115888011
2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol
CID 81101332
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
N-[3-(1,3-dioxan-4-ylmethylamino)propyl]methanesulfonamide
CID 106336749
2-(1,3-dioxan-4-ylmethylamino)-3-methylbutanamide
CID 103914239

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide (CID 106277044) is 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC1CCOCO1.
What is the InChIKey of 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide?
The InChIKey is DSKPNDAXOFBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,10(14)12-3)7-13-6-9-4-5-15-8-16-9/h9,13H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide?
3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxan-4-ylmethylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106277044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).