1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen

C12H24N2 — CID 176961366

IUPAC1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen
SMILESC=C(/N=C\C=C(/C)C(C)CC)NCC.[H][H]
InChIInChI=1S/C12H22N2.H2/c1-6-10(3)11(4)8-9-14-12(5)13-7-2;/h8-10,13H,5-7H2,1-4H3;1H/b11-8+,14-9-;
InChIKeyLWUPFRDNIGZCFD-FSZKZDIMSA-N
MW196.34 g/mol
LogP3.38
Rot. Bonds6

About 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen

1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen (PubChem CID 176961366) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen.

Molecular Properties

Compound Name1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen
PubChem CID176961366
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen
SMILESC=C(/N=C\C=C(/C)C(C)CC)NCC.[H][H]
InChIInChI=1S/C12H22N2.H2/c1-6-10(3)11(4)8-9-14-12(5)13-7-2;/h8-10,13H,5-7H2,1-4H3;1H/b11-8+,14-9-;
InChIKeyLWUPFRDNIGZCFD-FSZKZDIMSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.38
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 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen?
The IUPAC name of 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen (CID 176961366) is 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen.
What is the SMILES notation for 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen?
The canonical SMILES for 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen is C=C(/N=C\C=C(/C)C(C)CC)NCC.[H][H].
What is the InChIKey of 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen?
The InChIKey is LWUPFRDNIGZCFD-FSZKZDIMSA-N. The full InChI is InChI=1S/C12H22N2.H2/c1-6-10(3)11(4)8-9-14-12(5)13-7-2;/h8-10,13H,5-7H2,1-4H3;1H/b11-8+,14-9-;.
What are the key properties of 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen?
1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen has a molecular weight of 196.34 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine;molecular hydrogen is sourced from PubChem (CID 176961366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).