N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide

C10H18N2O3 — CID 63766496

IUPACN-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide
SMILESNC(CNC(=O)C1COCCO1)C1CC1
InChIInChI=1S/C10H18N2O3/c11-8(7-1-2-7)5-12-10(13)9-6-14-3-4-15-9/h7-9H,1-6,11H2,(H,12,13)
InChIKeyJCJBYQYOERTBBZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.74
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide

N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide (PubChem CID 63766496) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide
PubChem CID63766496
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide
SMILESNC(CNC(=O)C1COCCO1)C1CC1
InChIInChI=1S/C10H18N2O3/c11-8(7-1-2-7)5-12-10(13)9-6-14-3-4-15-9/h7-9H,1-6,11H2,(H,12,13)
InChIKeyJCJBYQYOERTBBZ-UHFFFAOYSA-N
XLogP-0.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-amino-2-cyclopropylethyl)oxolane-2-carboxamide
CID 104856432
N-(2-aminobutyl)-1,4-dioxane-2-carboxamide
CID 63733447
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849
N-(2,3-dihydroxypropyl)-1,4-dioxane-2-carboxamide
CID 66175400
N-[2-(methylamino)propyl]-1,4-dioxane-2-carboxamide
CID 103512639
methyl 2-bromo-3-(1,4-dioxane-2-carbonylamino)propanoate
CID 103492404
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
N-[2-(4-aminophenyl)-2-hydroxyethyl]-1,4-dioxane-2-carboxamide
CID 62798499
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-(6-bromohexyl)-1,4-dioxane-2-carboxamide
CID 107847920
N-[(2R)-1-hydroxypropan-2-yl]-1,4-dioxane-2-carboxamide
CID 79028059
N-[3-(2-bromoethoxy)propyl]-1,4-dioxane-2-carboxamide
CID 106307776

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide (CID 63766496) is N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide is NC(CNC(=O)C1COCCO1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide?
The InChIKey is JCJBYQYOERTBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-8(7-1-2-7)5-12-10(13)9-6-14-3-4-15-9/h7-9H,1-6,11H2,(H,12,13).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide?
N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide has a molecular weight of 214.26 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 63766496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).