ethane;N'-methyl-N-propan-2-ylideneethanimidamide

C8H18N2 — CID 142000403

IUPACethane;N'-methyl-N-propan-2-ylideneethanimidamide
SMILESC/N=C(\C)N=C(C)C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(2)8-6(3)7-4;1-2/h1-4H3;1-2H3/b7-6+;
InChIKeyFQZSYMOAFKHEGB-UHDJGPCESA-N
MW142.25 g/mol
LogP2.54
Rot. Bonds

About ethane;N'-methyl-N-propan-2-ylideneethanimidamide

ethane;N'-methyl-N-propan-2-ylideneethanimidamide (PubChem CID 142000403) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;N'-methyl-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound Nameethane;N'-methyl-N-propan-2-ylideneethanimidamide
PubChem CID142000403
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;N'-methyl-N-propan-2-ylideneethanimidamide
SMILESC/N=C(\C)N=C(C)C.CC
InChIInChI=1S/C6H12N2.C2H6/c1-5(2)8-6(3)7-4;1-2/h1-4H3;1-2H3/b7-6+;
InChIKeyFQZSYMOAFKHEGB-UHDJGPCESA-N
XLogP2.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
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

N'-methyl-N-propan-2-ylideneethanimidamide
CID 158478143
N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide
CID 135129023
ethane;N'-methyl-N-methyliminoethanimidamide
CID 145279493
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
CID 130436154
N'-propan-2-yl-N-propan-2-ylideneethanimidamide
CID 143703583
ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine
CID 143677129
N',2-dimethyl-N-propan-2-ylidenepropanimidamide
CID 167026790
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
CID 155041471
N'-cyclopropyl-N-propan-2-ylideneethanimidamide
CID 167096909
N-ethylidene-N'-methylethanimidamide
CID 58796711
2-methylbut-2-ene;N-methylpropan-2-imine
CID 161325778
N-methylethanimidoyl isocyanate
CID 173494275

Frequently Asked Questions

What is the IUPAC name of ethane;N'-methyl-N-propan-2-ylideneethanimidamide?
The IUPAC name of ethane;N'-methyl-N-propan-2-ylideneethanimidamide (CID 142000403) is ethane;N'-methyl-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for ethane;N'-methyl-N-propan-2-ylideneethanimidamide?
The canonical SMILES for ethane;N'-methyl-N-propan-2-ylideneethanimidamide is C/N=C(\C)N=C(C)C.CC.
What is the InChIKey of ethane;N'-methyl-N-propan-2-ylideneethanimidamide?
The InChIKey is FQZSYMOAFKHEGB-UHDJGPCESA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-5(2)8-6(3)7-4;1-2/h1-4H3;1-2H3/b7-6+;.
What are the key properties of ethane;N'-methyl-N-propan-2-ylideneethanimidamide?
ethane;N'-methyl-N-propan-2-ylideneethanimidamide has a molecular weight of 142.25 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-methyl-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 142000403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).