(1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine

C18H30N2 — CID 126663764

IUPAC(1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C(C)=C(/C=C\NCC)C(=C\C)\N=C(/C)C(C)(C)C
InChIInChI=1S/C18H30N2/c1-9-14(4)16(12-13-19-11-3)17(10-2)20-15(5)18(6,7)8/h9-10,12-13,19H,1,11H2,2-8H3/b13-12-,16-14-,17-10-,20-15+
InChIKeyDBHJDVPXHFTXCL-IHHNZLTRSA-N
MW274.45 g/mol
LogP5.02
Rot. Bonds6

About (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine (PubChem CID 126663764) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine
PubChem CID126663764
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name(1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C(C)=C(/C=C\NCC)C(=C\C)\N=C(/C)C(C)(C)C
InChIInChI=1S/C18H30N2/c1-9-14(4)16(12-13-19-11-3)17(10-2)20-15(5)18(6,7)8/h9-10,12-13,19H,1,11H2,2-8H3/b13-12-,16-14-,17-10-,20-15+
InChIKeyDBHJDVPXHFTXCL-IHHNZLTRSA-N
XLogP5.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.02
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 (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine (CID 126663764) is (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine is C=C/C(C)=C(/C=C\NCC)C(=C\C)\N=C(/C)C(C)(C)C.
What is the InChIKey of (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine?
The InChIKey is DBHJDVPXHFTXCL-IHHNZLTRSA-N. The full InChI is InChI=1S/C18H30N2/c1-9-14(4)16(12-13-19-11-3)17(10-2)20-15(5)18(6,7)8/h9-10,12-13,19H,1,11H2,2-8H3/b13-12-,16-14-,17-10-,20-15+.
What are the key properties of (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine has a molecular weight of 274.45 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-[(Z)-1-(3,3-dimethylbutan-2-ylideneamino)prop-1-enyl]-N-ethyl-4-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 126663764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).