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

C12H22N2 — CID 176961367

IUPAC1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine
SMILESC=C(/N=C\C=C(/C)C(C)CC)NCC
InChIInChI=1S/C12H22N2/c1-6-10(3)11(4)8-9-14-12(5)13-7-2/h8-10,13H,5-7H2,1-4H3/b11-8+,14-9-
InChIKeyHNCLCABGPMDPDH-GZESYCOQSA-N
MW194.32 g/mol
LogP3.13
Rot. Bonds6

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

1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine (PubChem CID 176961367) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine.

Molecular Properties

Compound Name1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine
PubChem CID176961367
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine
SMILESC=C(/N=C\C=C(/C)C(C)CC)NCC
InChIInChI=1S/C12H22N2/c1-6-10(3)11(4)8-9-14-12(5)13-7-2/h8-10,13H,5-7H2,1-4H3/b11-8+,14-9-
InChIKeyHNCLCABGPMDPDH-GZESYCOQSA-N
XLogP3.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.13
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?
The IUPAC name of 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine (CID 176961367) is 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine.
What is the SMILES notation for 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine?
The canonical SMILES for 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine is C=C(/N=C\C=C(/C)C(C)CC)NCC.
What is the InChIKey of 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine?
The InChIKey is HNCLCABGPMDPDH-GZESYCOQSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-10(3)11(4)8-9-14-12(5)13-7-2/h8-10,13H,5-7H2,1-4H3/b11-8+,14-9-.
What are the key properties of 1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine?
1-[(Z)-[(E)-3,4-dimethylhex-2-enylidene]amino]-N-ethylethenamine has a molecular weight of 194.32 g/mol, XLogP of 3.13, 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 is sourced from PubChem (CID 176961367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).