(1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane

C17H26N2 — CID 144902560

IUPAC(1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane
SMILESC=C/C=C(C)/C(/C=C(\N)C1=CCCC=C1)=N\C.CC
InChIInChI=1S/C15H20N2.C2H6/c1-4-8-12(2)15(17-3)11-14(16)13-9-6-5-7-10-13;1-2/h4,6,8-11H,1,5,7,16H2,2-3H3;1-2H3/b12-8+,14-11-,17-15-;
InChIKeyJDNKGVFWXHOLEW-YGCNKSCCSA-N
MW258.41 g/mol
LogP4.33
Rot. Bonds4

About (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane

(1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane (PubChem CID 144902560) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane.

Molecular Properties

Compound Name(1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane
PubChem CID144902560
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane
SMILESC=C/C=C(C)/C(/C=C(\N)C1=CCCC=C1)=N\C.CC
InChIInChI=1S/C15H20N2.C2H6/c1-4-8-12(2)15(17-3)11-14(16)13-9-6-5-7-10-13;1-2/h4,6,8-11H,1,5,7,16H2,2-3H3;1-2H3/b12-8+,14-11-,17-15-;
InChIKeyJDNKGVFWXHOLEW-YGCNKSCCSA-N
XLogP4.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.33
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,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane?
The IUPAC name of (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane (CID 144902560) is (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane.
What is the SMILES notation for (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane?
The canonical SMILES for (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane is C=C/C=C(C)/C(/C=C(\N)C1=CCCC=C1)=N\C.CC.
What is the InChIKey of (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane?
The InChIKey is JDNKGVFWXHOLEW-YGCNKSCCSA-N. The full InChI is InChI=1S/C15H20N2.C2H6/c1-4-8-12(2)15(17-3)11-14(16)13-9-6-5-7-10-13;1-2/h4,6,8-11H,1,5,7,16H2,2-3H3;1-2H3/b12-8+,14-11-,17-15-;.
What are the key properties of (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane?
(1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane has a molecular weight of 258.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E)-1-cyclohexa-1,5-dien-1-yl-4-methyl-3-methyliminohepta-1,4,6-trien-1-amine;ethane is sourced from PubChem (CID 144902560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).