2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide

C13H22N2O — CID 123903691

IUPAC2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)N/C(=N/C1CCOC1)C(C)=C(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)11(5)13(14-10(3)4)15-12-6-7-16-8-12/h12H,3,6-8H2,1-2,4-5H3,(H,14,15)
InChIKeyMFLBPMQDXVOGQV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.65
Rot. Bonds3

About 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide

2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide (PubChem CID 123903691) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide.

Molecular Properties

Compound Name2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide
PubChem CID123903691
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)N/C(=N/C1CCOC1)C(C)=C(C)C
InChIInChI=1S/C13H22N2O/c1-9(2)11(5)13(14-10(3)4)15-12-6-7-16-8-12/h12H,3,6-8H2,1-2,4-5H3,(H,14,15)
InChIKeyMFLBPMQDXVOGQV-UHFFFAOYSA-N
XLogP2.65
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(oxolan-3-ylimino)but-1-en-1-amine
CID 174357445
(3S)-3-nitrosooxolane
CID 129110439
(3R,4S)-4-prop-1-en-2-yloxan-3-ol
CID 14982330
(3R)-3-isocyanatooxolane
CID 86627733
(3S)-3-prop-1-en-2-yloxane
CID 154017208
N-methyl-2-(oxolan-3-yl)prop-2-en-1-amine
CID 117266258
3-methoxy-4-prop-1-en-2-yloxane
CID 163535676
3-methyl-1-(3-methyloxan-4-yl)but-3-en-1-one
CID 130491993
1-amino-2-(1,4-dioxepan-6-yl)guanidine
CID 126996388
N-[(3R)-oxolan-3-yl]hydroxylamine
CID 124574155
ethane;(3R)-oxolan-3-ol
CID 145226146
ethene;1-methylidene-2-(oxan-4-yl)guanidine
CID 156898460

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide?
The IUPAC name of 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide (CID 123903691) is 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide.
What is the SMILES notation for 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide?
The canonical SMILES for 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide is C=C(C)N/C(=N/C1CCOC1)C(C)=C(C)C.
What is the InChIKey of 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide?
The InChIKey is MFLBPMQDXVOGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11(5)13(14-10(3)4)15-12-6-7-16-8-12/h12H,3,6-8H2,1-2,4-5H3,(H,14,15).
What are the key properties of 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide?
2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide has a molecular weight of 222.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N'-(oxolan-3-yl)-N-prop-1-en-2-ylbut-2-enimidamide is sourced from PubChem (CID 123903691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).