3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide

C10H20N2O3 — CID 64676747

IUPAC3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCC1COCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,11)5-9(13)12-6-8-7-14-3-4-15-8/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyWENVBHYDCWDBMN-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.35
Rot. Bonds4

About 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide

3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide (PubChem CID 64676747) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
PubChem CID64676747
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCC1COCCO1
InChIInChI=1S/C10H20N2O3/c1-10(2,11)5-9(13)12-6-8-7-14-3-4-15-8/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyWENVBHYDCWDBMN-UHFFFAOYSA-N
XLogP-0.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 61266429
N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
CID 62847455
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
CID 61023976
5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
CID 61023561
(2S)-2-amino-N-[2-(1,4-dioxan-2-ylmethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961450
5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide
CID 61023950
(2S)-2-(1,4-dioxan-2-ylmethylamino)-3,3-dimethylbutanamide
CID 167858059
(2R)-2-(1,4-dioxan-2-ylmethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927678
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)carbamodithioate
CID 58922130
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-tert-butyl-2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)acetamide
CID 155141144
N'-(2-amino-2-sulfanylideneethyl)-N-(1,4-dioxan-2-ylmethyl)oxamide
CID 54908307

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide (CID 64676747) is 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide is CC(C)(N)CC(=O)NCC1COCCO1.
What is the InChIKey of 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide?
The InChIKey is WENVBHYDCWDBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,11)5-9(13)12-6-8-7-14-3-4-15-8/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide?
3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide has a molecular weight of 216.28 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 64676747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).