(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane

C15H26N2 — CID 145017836

IUPAC(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane
SMILESC=C/C=C\C(C(=C)C)=C(\N=C/C)NC.CCC
InChIInChI=1S/C12H18N2.C3H8/c1-6-8-9-11(10(3)4)12(13-5)14-7-2;1-3-2/h6-9,13H,1,3H2,2,4-5H3;3H2,1-2H3/b9-8-,12-11-,14-7-;
InChIKeyKZACBUFFFGZBFO-NBOUBHOZSA-N
MW234.39 g/mol
LogP4.24
Rot. Bonds5

About (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane

(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane (PubChem CID 145017836) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane.

Molecular Properties

Compound Name(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane
PubChem CID145017836
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane
SMILESC=C/C=C\C(C(=C)C)=C(\N=C/C)NC.CCC
InChIInChI=1S/C12H18N2.C3H8/c1-6-8-9-11(10(3)4)12(13-5)14-7-2;1-3-2/h6-9,13H,1,3H2,2,4-5H3;3H2,1-2H3/b9-8-,12-11-,14-7-;
InChIKeyKZACBUFFFGZBFO-NBOUBHOZSA-N
XLogP4.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.24
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)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane?
The IUPAC name of (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane (CID 145017836) is (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane.
What is the SMILES notation for (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane?
The canonical SMILES for (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane is C=C/C=C\C(C(=C)C)=C(\N=C/C)NC.CCC.
What is the InChIKey of (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane?
The InChIKey is KZACBUFFFGZBFO-NBOUBHOZSA-N. The full InChI is InChI=1S/C12H18N2.C3H8/c1-6-8-9-11(10(3)4)12(13-5)14-7-2;1-3-2/h6-9,13H,1,3H2,2,4-5H3;3H2,1-2H3/b9-8-,12-11-,14-7-;.
What are the key properties of (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane?
(1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane has a molecular weight of 234.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-[(Z)-ethylideneamino]-N-methyl-2-prop-1-en-2-ylhexa-1,3,5-trien-1-amine;propane is sourced from PubChem (CID 145017836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).