ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide

C11H27N3 — CID 143733110

IUPACethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide
SMILESCC.CC.CC/N=C(\C)N/C(C)=N/C
InChIInChI=1S/C7H15N3.2C2H6/c1-5-9-7(3)10-6(2)8-4;2*1-2/h5H2,1-4H3,(H,8,9,10);2*1-2H3
InChIKeyJIZKMAMDYKZVPS-UHFFFAOYSA-N
MW201.36 g/mol
LogP3.11
Rot. Bonds1

About ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide

ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide (PubChem CID 143733110) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide.

Molecular Properties

Compound Nameethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide
PubChem CID143733110
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Nameethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide
SMILESCC.CC.CC/N=C(\C)N/C(C)=N/C
InChIInChI=1S/C7H15N3.2C2H6/c1-5-9-7(3)10-6(2)8-4;2*1-2/h5H2,1-4H3,(H,8,9,10);2*1-2H3
InChIKeyJIZKMAMDYKZVPS-UHFFFAOYSA-N
XLogP3.11
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
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

N,N'-dimethylethanimidamide;ethane
CID 176553571
N'-ethyl-N-propan-2-ylethanimidamide
CID 21064634
(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide
CID 176540922
N,N'-bis(C-chloro-N-ethylcarbonimidoyl)carbamimidoyl chloride
CID 134871126
N-ethyl-1,1-difluoromethanimine
CID 23233688
acetic acid;N,N'-dimethylethanimidamide
CID 162316953
N'-methyl-N-(2-methylbutan-2-yl)ethanimidamide;propane
CID 144764548
N'-methyl-N-[1-[1-(prop-1-en-2-ylamino)ethenylsulfanyl]ethenyl]ethanimidamide
CID 146504934
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313444
methyl N'-ethyl-N-prop-1-en-2-ylcarbamimidothioate
CID 142019260
N-amino-N'-methylethanimidamide;molecular hydrogen
CID 142049253
N-ethylethanimidoyl chloride;methanesulfonic acid
CID 173257928

Frequently Asked Questions

What is the IUPAC name of ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide?
The IUPAC name of ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide (CID 143733110) is ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide.
What is the SMILES notation for ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide?
The canonical SMILES for ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide is CC.CC.CC/N=C(\C)N/C(C)=N/C.
What is the InChIKey of ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide?
The InChIKey is JIZKMAMDYKZVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.2C2H6/c1-5-9-7(3)10-6(2)8-4;2*1-2/h5H2,1-4H3,(H,8,9,10);2*1-2H3.
What are the key properties of ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide?
ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide has a molecular weight of 201.36 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide is sourced from PubChem (CID 143733110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).