(Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine

C15H25N — CID 138726383

IUPAC(Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine
SMILESC/C=C(C(=C\C)/C(C)C)\C(/C=N/C)=C/CC
InChIInChI=1S/C15H25N/c1-7-10-13(11-16-6)15(9-3)14(8-2)12(4)5/h8-12H,7H2,1-6H3/b13-10-,14-8-,15-9+,16-11+
InChIKeyVXKLWDHFCFVCCB-DXOXDIPLSA-N
MW219.37 g/mol
LogP4.57
Rot. Bonds5

About (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine

(Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine (PubChem CID 138726383) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine.

Molecular Properties

Compound Name(Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine
PubChem CID138726383
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine
SMILESC/C=C(C(=C\C)/C(C)C)\C(/C=N/C)=C/CC
InChIInChI=1S/C15H25N/c1-7-10-13(11-16-6)15(9-3)14(8-2)12(4)5/h8-12H,7H2,1-6H3/b13-10-,14-8-,15-9+,16-11+
InChIKeyVXKLWDHFCFVCCB-DXOXDIPLSA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine?
The IUPAC name of (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine (CID 138726383) is (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine.
What is the SMILES notation for (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine?
The canonical SMILES for (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine is C/C=C(C(=C\C)/C(C)C)\C(/C=N/C)=C/CC.
What is the InChIKey of (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine?
The InChIKey is VXKLWDHFCFVCCB-DXOXDIPLSA-N. The full InChI is InChI=1S/C15H25N/c1-7-10-13(11-16-6)15(9-3)14(8-2)12(4)5/h8-12H,7H2,1-6H3/b13-10-,14-8-,15-9+,16-11+.
What are the key properties of (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine?
(Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine has a molecular weight of 219.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E,3Z)-3-ethylidene-N-methyl-4-propan-2-yl-2-propylidenehex-4-en-1-imine is sourced from PubChem (CID 138726383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).