ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide

C8H18N2 — CID 142904067

IUPACethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide
SMILESC=C(C)CN/C=N/C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-6(2)4-8-5-7-3;1-2/h5H,1,4H2,2-3H3,(H,7,8);1-2H3
InChIKeyMBWUMPQSOVLOKP-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.84
Rot. Bonds3

About ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide

ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide (PubChem CID 142904067) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide
PubChem CID142904067
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide
SMILESC=C(C)CN/C=N/C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-6(2)4-8-5-7-3;1-2/h5H,1,4H2,2-3H3,(H,7,8);1-2H3
InChIKeyMBWUMPQSOVLOKP-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.84
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide
CID 123948650
ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide
CID 143326378
N,N'-bis(prop-2-enyl)methanimidamide;ethane
CID 143786637
ethane;N'-methyl-N-prop-2-enylmethanimidamide
CID 144003632
ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide
CID 144649640
N-(2,3-dimethylbut-2-enyl)-N'-methylmethanimidamide
CID 156242070
N'-butyl-N-(2-methylprop-1-enyl)methanimidamide
CID 174264595
Ethane;5-methyl-1,4-dihydropyrimidine;propane
CID 176553144
2-(3-Methylbut-2-enyl)-1-propylguanidine
CID 103517455
2-Methyl-1-(2-methylprop-2-enyl)guanidine
CID 115612294
2-(2-Methylprop-2-enyl)-1-propylguanidine
CID 115612298
1,1,2-Trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 130701598

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide?
The IUPAC name of ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide (CID 142904067) is ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide?
The canonical SMILES for ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide is C=C(C)CN/C=N/C.CC.
What is the InChIKey of ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide?
The InChIKey is MBWUMPQSOVLOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-6(2)4-8-5-7-3;1-2/h5H,1,4H2,2-3H3,(H,7,8);1-2H3.
What are the key properties of ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide?
ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide is sourced from PubChem (CID 142904067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).