ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine

C11H22N2 — CID 143508543

IUPACethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine
SMILESCC.[H]/N=C/C=C(\C=C)CN(C)CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-9(6-7-10)8-11(3)5-2;1-2/h4,6-7,10H,1,5,8H2,2-3H3;1-2H3/b9-6+,10-7+;
InChIKeyLBZCVUXFPZXNBI-BHSKDUGMSA-N
MW182.31 g/mol
LogP2.73
Rot. Bonds5

About ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine

ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine (PubChem CID 143508543) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine
PubChem CID143508543
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine
SMILESCC.[H]/N=C/C=C(\C=C)CN(C)CC
InChIInChI=1S/C9H16N2.C2H6/c1-4-9(6-7-10)8-11(3)5-2;1-2/h4,6-7,10H,1,5,8H2,2-3H3;1-2H3/b9-6+,10-7+;
InChIKeyLBZCVUXFPZXNBI-BHSKDUGMSA-N
XLogP2.73
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine?
The IUPAC name of ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine (CID 143508543) is ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine.
What is the SMILES notation for ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine?
The canonical SMILES for ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine is CC.[H]/N=C/C=C(\C=C)CN(C)CC.
What is the InChIKey of ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine?
The InChIKey is LBZCVUXFPZXNBI-BHSKDUGMSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-4-9(6-7-10)8-11(3)5-2;1-2/h4,6-7,10H,1,5,8H2,2-3H3;1-2H3/b9-6+,10-7+;.
What are the key properties of ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine?
ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine has a molecular weight of 182.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-ethenyl-N-ethyl-4-imino-N-methylbut-2-en-1-amine is sourced from PubChem (CID 143508543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).