N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane

C9H18N2 — CID 144954685

IUPACN-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane
SMILESC=C/C(C)=N/C=N/CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(3)9-6-8-5-2;1-2/h4,6H,1,5H2,2-3H3;1-2H3/b8-6+,9-7+;
InChIKeyXRHBTRGBKXWVSB-SLGVWIAZSA-N
MW154.26 g/mol
LogP2.71
Rot. Bonds3

About N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane

N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane (PubChem CID 144954685) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane.

Molecular Properties

Compound NameN-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane
PubChem CID144954685
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane
SMILESC=C/C(C)=N/C=N/CC.CC
InChIInChI=1S/C7H12N2.C2H6/c1-4-7(3)9-6-8-5-2;1-2/h4,6H,1,5H2,2-3H3;1-2H3/b8-6+,9-7+;
InChIKeyXRHBTRGBKXWVSB-SLGVWIAZSA-N
XLogP2.71
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.71
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane?
The IUPAC name of N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane (CID 144954685) is N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane.
What is the SMILES notation for N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane?
The canonical SMILES for N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane is C=C/C(C)=N/C=N/CC.CC.
What is the InChIKey of N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane?
The InChIKey is XRHBTRGBKXWVSB-SLGVWIAZSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-4-7(3)9-6-8-5-2;1-2/h4,6H,1,5H2,2-3H3;1-2H3/b8-6+,9-7+;.
What are the key properties of N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane?
N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane has a molecular weight of 154.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane is sourced from PubChem (CID 144954685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).