ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine

C10H22N2 — CID 144831826

IUPACethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine
SMILESCC.CC/N=C/C(C)=C(\C)NC
InChIInChI=1S/C8H16N2.C2H6/c1-5-10-6-7(2)8(3)9-4;1-2/h6,9H,5H2,1-4H3;1-2H3/b8-7+,10-6+;
InChIKeyHVAWZWYITQCJCJ-STJFEJDTSA-N
MW170.30 g/mol
LogP2.62
Rot. Bonds3

About ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine

ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine (PubChem CID 144831826) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine.

Molecular Properties

Compound Nameethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine
PubChem CID144831826
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine
SMILESCC.CC/N=C/C(C)=C(\C)NC
InChIInChI=1S/C8H16N2.C2H6/c1-5-10-6-7(2)8(3)9-4;1-2/h6,9H,5H2,1-4H3;1-2H3/b8-7+,10-6+;
InChIKeyHVAWZWYITQCJCJ-STJFEJDTSA-N
XLogP2.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine?
The IUPAC name of ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine (CID 144831826) is ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine.
What is the SMILES notation for ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine?
The canonical SMILES for ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine is CC.CC/N=C/C(C)=C(\C)NC.
What is the InChIKey of ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine?
The InChIKey is HVAWZWYITQCJCJ-STJFEJDTSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-5-10-6-7(2)8(3)9-4;1-2/h6,9H,5H2,1-4H3;1-2H3/b8-7+,10-6+;.
What are the key properties of ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine?
ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine has a molecular weight of 170.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-4-ethylimino-N,3-dimethylbut-2-en-2-amine is sourced from PubChem (CID 144831826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).