ethane;N'-ethyl-N-ethylidenepropanimidamide

C9H20N2 — CID 153334388

IUPACethane;N'-ethyl-N-ethylidenepropanimidamide
SMILESC/C=N/C(CC)=N/CC.CC
InChIInChI=1S/C7H14N2.C2H6/c1-4-7(8-5-2)9-6-3;1-2/h5H,4,6H2,1-3H3;1-2H3/b8-5+,9-7+;
InChIKeySKLIUFKHWMZXEP-DRQDVJCFSA-N
MW156.27 g/mol
LogP2.93
Rot. Bonds2

About ethane;N'-ethyl-N-ethylidenepropanimidamide

ethane;N'-ethyl-N-ethylidenepropanimidamide (PubChem CID 153334388) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;N'-ethyl-N-ethylidenepropanimidamide.

Molecular Properties

Compound Nameethane;N'-ethyl-N-ethylidenepropanimidamide
PubChem CID153334388
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;N'-ethyl-N-ethylidenepropanimidamide
SMILESC/C=N/C(CC)=N/CC.CC
InChIInChI=1S/C7H14N2.C2H6/c1-4-7(8-5-2)9-6-3;1-2/h5H,4,6H2,1-3H3;1-2H3/b8-5+,9-7+;
InChIKeySKLIUFKHWMZXEP-DRQDVJCFSA-N
XLogP2.93
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.93
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

methyl N'-ethyl-N-ethylidenecarbamimidate
CID 174088080
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
N'-ethyl-N-ethylidene-4-methylbenzenecarboximidamide
CID 145161963
N-ethylpropanimidoyl iodide
CID 134920122
1-ethoxy-3-ethylideneurea
CID 141099937
1-ethenyl-1-ethyl-3-ethylideneurea
CID 141081531
O-(N'-ethylcarbamimidoyl) carbamothioate
CID 21150656
N-hept-2-en-3-ylethanimine
CID 23597524
N-[(3E)-hexa-1,3-dien-2-yl]ethanimine
CID 148865556
N-ethyl-1,1-difluoromethanimine
CID 23233688
ethane;(E)-3-methylpent-2-ene
CID 144523626
ethane;(Z)-N-ethyl-1-[3-[5-[(Z)-1-(ethylideneamino)but-1-enyl]-2-methylphenoxy]-4-methylphenyl]but-2-en-1-imine
CID 142562397

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethyl-N-ethylidenepropanimidamide?
The IUPAC name of ethane;N'-ethyl-N-ethylidenepropanimidamide (CID 153334388) is ethane;N'-ethyl-N-ethylidenepropanimidamide.
What is the SMILES notation for ethane;N'-ethyl-N-ethylidenepropanimidamide?
The canonical SMILES for ethane;N'-ethyl-N-ethylidenepropanimidamide is C/C=N/C(CC)=N/CC.CC.
What is the InChIKey of ethane;N'-ethyl-N-ethylidenepropanimidamide?
The InChIKey is SKLIUFKHWMZXEP-DRQDVJCFSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-4-7(8-5-2)9-6-3;1-2/h5H,4,6H2,1-3H3;1-2H3/b8-5+,9-7+;.
What are the key properties of ethane;N'-ethyl-N-ethylidenepropanimidamide?
ethane;N'-ethyl-N-ethylidenepropanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethyl-N-ethylidenepropanimidamide is sourced from PubChem (CID 153334388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).