ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide

C8H18N2 — CID 144649640

IUPACethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide
SMILESC/N=C/NC=C(C)C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-6(2)4-8-5-7-3;1-2/h4-5H,1-3H3,(H,7,8);1-2H3
InChIKeyWAEOVMZGUWKVGJ-UHFFFAOYSA-N
MW142.25 g/mol
LogP2.18
Rot. Bonds2

About ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide

ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide (PubChem CID 144649640) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide
PubChem CID144649640
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide
SMILESC/N=C/NC=C(C)C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-6(2)4-8-5-7-3;1-2/h4-5H,1-3H3,(H,7,8);1-2H3
InChIKeyWAEOVMZGUWKVGJ-UHFFFAOYSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide (CID 144649640) is ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide is C/N=C/NC=C(C)C.CC.
What is the InChIKey of ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is WAEOVMZGUWKVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-6(2)4-8-5-7-3;1-2/h4-5H,1-3H3,(H,7,8);1-2H3.
What are the key properties of ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide?
ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 142.25 g/mol, XLogP of 2.18, 2 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-1-enyl)methanimidamide is sourced from PubChem (CID 144649640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).