N',3-dimethylbut-2-enimidamide;ethane

C8H18N2 — CID 142089104

IUPACN',3-dimethylbut-2-enimidamide;ethane
SMILESC/N=C(\N)C=C(C)C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(2)4-6(7)8-3;1-2/h4H,1-3H3,(H2,7,8);1-2H3
InChIKeyLSXUDWJZHCTVMI-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.97
Rot. Bonds1

About N',3-dimethylbut-2-enimidamide;ethane

N',3-dimethylbut-2-enimidamide;ethane (PubChem CID 142089104) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N',3-dimethylbut-2-enimidamide;ethane.

Molecular Properties

Compound NameN',3-dimethylbut-2-enimidamide;ethane
PubChem CID142089104
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN',3-dimethylbut-2-enimidamide;ethane
SMILESC/N=C(\N)C=C(C)C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(2)4-6(7)8-3;1-2/h4H,1-3H3,(H2,7,8);1-2H3
InChIKeyLSXUDWJZHCTVMI-UHFFFAOYSA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(Z)-N'-methylbut-2-enimidamide
CID 57611968
3-methyl-2H-pyrrol-5-amine
CID 58190614
N',2-dimethylbut-2-enimidamide
CID 59700369
(Z)-N',2-dimethylbut-2-enimidamide
CID 90765366
(E)-N'-(4-aminobutyl)but-2-enimidamide
CID 90846036
3-methyl-N'-prop-1-enylbut-2-enimidamide
CID 123388455
N',3-dimethylbut-2-enimidamide
CID 123874622
N'-(2-methylbut-2-enyl)propanimidamide
CID 123877153
(E)-N'-ethylbut-2-enimidamide
CID 124181986
(E)-N',2-dimethylbut-2-enimidamide
CID 129047080
N'-cyclobutyl-3-methylbut-2-enimidamide
CID 129309549
(E)-N',3,4-trimethylpent-2-enimidamide
CID 138495432

Frequently Asked Questions

What is the IUPAC name of N',3-dimethylbut-2-enimidamide;ethane?
The IUPAC name of N',3-dimethylbut-2-enimidamide;ethane (CID 142089104) is N',3-dimethylbut-2-enimidamide;ethane.
What is the SMILES notation for N',3-dimethylbut-2-enimidamide;ethane?
The canonical SMILES for N',3-dimethylbut-2-enimidamide;ethane is C/N=C(\N)C=C(C)C.CC.
What is the InChIKey of N',3-dimethylbut-2-enimidamide;ethane?
The InChIKey is LSXUDWJZHCTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-5(2)4-6(7)8-3;1-2/h4H,1-3H3,(H2,7,8);1-2H3.
What are the key properties of N',3-dimethylbut-2-enimidamide;ethane?
N',3-dimethylbut-2-enimidamide;ethane has a molecular weight of 142.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethylbut-2-enimidamide;ethane is sourced from PubChem (CID 142089104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).