ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen

C14H30N2O — CID 143958314

IUPACethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen
SMILESC=C.C=C(/C(=C\C)CNCC)N(C)CCOC.[H][H]
InChIInChI=1S/C12H24N2O.C2H4.H2/c1-6-12(10-13-7-2)11(3)14(4)8-9-15-5;1-2;/h6,13H,3,7-10H2,1-2,4-5H3;1-2H2;1H/b12-6-;;
InChIKeyIXEJYCHGEKXJSZ-AXAVVADUSA-N
MW242.41 g/mol
LogP2.68
Rot. Bonds8

About ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen

ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen (PubChem CID 143958314) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen.

Molecular Properties

Compound Nameethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen
PubChem CID143958314
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Nameethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen
SMILESC=C.C=C(/C(=C\C)CNCC)N(C)CCOC.[H][H]
InChIInChI=1S/C12H24N2O.C2H4.H2/c1-6-12(10-13-7-2)11(3)14(4)8-9-15-5;1-2;/h6,13H,3,7-10H2,1-2,4-5H3;1-2H2;1H/b12-6-;;
InChIKeyIXEJYCHGEKXJSZ-AXAVVADUSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 89450142
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CID 135181463
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CID 139390286

Frequently Asked Questions

What is the IUPAC name of ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen?
The IUPAC name of ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen (CID 143958314) is ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen.
What is the SMILES notation for ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen?
The canonical SMILES for ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen is C=C.C=C(/C(=C\C)CNCC)N(C)CCOC.[H][H].
What is the InChIKey of ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen?
The InChIKey is IXEJYCHGEKXJSZ-AXAVVADUSA-N. The full InChI is InChI=1S/C12H24N2O.C2H4.H2/c1-6-12(10-13-7-2)11(3)14(4)8-9-15-5;1-2;/h6,13H,3,7-10H2,1-2,4-5H3;1-2H2;1H/b12-6-;;.
What are the key properties of ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen?
ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen has a molecular weight of 242.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(2Z)-1-N-ethyl-2-ethylidene-3-N-(2-methoxyethyl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen is sourced from PubChem (CID 143958314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).