N'-methyl-N-propan-2-ylideneethanimidamide

C12H24N4 — CID 158478143

IUPACN'-methyl-N-propan-2-ylideneethanimidamide
SMILESC/N=C(\C)N=C(C)C.C/N=C(\C)N=C(C)C
InChIInChI=1S/2C6H12N2/c2*1-5(2)8-6(3)7-4/h2*1-4H3/b2*7-6+
InChIKeyHHEPIXOYCRPJIJ-YIKKBJQVSA-N
MW224.35 g/mol
LogP3.03
Rot. Bonds

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

N'-methyl-N-propan-2-ylideneethanimidamide (PubChem CID 158478143) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-methyl-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-propan-2-ylideneethanimidamide
PubChem CID158478143
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-methyl-N-propan-2-ylideneethanimidamide
SMILESC/N=C(\C)N=C(C)C.C/N=C(\C)N=C(C)C
InChIInChI=1S/2C6H12N2/c2*1-5(2)8-6(3)7-4/h2*1-4H3/b2*7-6+
InChIKeyHHEPIXOYCRPJIJ-YIKKBJQVSA-N
XLogP3.03
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.03
H-Bond Donors ≤ 50
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

ethane;N'-methyl-N-propan-2-ylideneethanimidamide
CID 142000403
N-(C,N-dimethylcarbonimidoyl)ethanimidoyl iodide
CID 135129023
N'-(C,N-dimethylcarbonimidoyl)-2-methylprop-2-enimidamide
CID 130436154
N'-propan-2-yl-N-propan-2-ylideneethanimidamide
CID 143703583
N',2-dimethyl-N-propan-2-ylidenepropanimidamide
CID 167026790
N'-(C,N-dimethylcarbonimidoyl)-2-methyl-N-methylidenepropanimidamide
CID 155041471
ethane;N'-methyl-N-methyliminoethanimidamide
CID 145279493
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
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
CID 155443629

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propan-2-ylideneethanimidamide?
The IUPAC name of N'-methyl-N-propan-2-ylideneethanimidamide (CID 158478143) is N'-methyl-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for N'-methyl-N-propan-2-ylideneethanimidamide?
The canonical SMILES for N'-methyl-N-propan-2-ylideneethanimidamide is C/N=C(\C)N=C(C)C.C/N=C(\C)N=C(C)C.
What is the InChIKey of N'-methyl-N-propan-2-ylideneethanimidamide?
The InChIKey is HHEPIXOYCRPJIJ-YIKKBJQVSA-N. The full InChI is InChI=1S/2C6H12N2/c2*1-5(2)8-6(3)7-4/h2*1-4H3/b2*7-6+.
What are the key properties of N'-methyl-N-propan-2-ylideneethanimidamide?
N'-methyl-N-propan-2-ylideneethanimidamide has a molecular weight of 224.35 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 158478143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).