(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine

C15H26N2 — CID 126593736

IUPAC(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(/C=C\CCC)C(\N)=C(/C)CC
InChIInChI=1S/C15H26N2/c1-6-9-10-11-14(13(5)17-8-3)15(16)12(4)7-2/h8,10-11H,6-7,9,16H2,1-5H3/b11-10-,14-13-,15-12-,17-8+
InChIKeyYFPKWTZPTKCDRU-KFUAOGBYSA-N
MW234.39 g/mol
LogP4.35
Rot. Bonds6

About (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine

(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine (PubChem CID 126593736) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine.

Molecular Properties

Compound Name(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
PubChem CID126593736
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine
SMILESC/C=N/C(C)=C(/C=C\CCC)C(\N)=C(/C)CC
InChIInChI=1S/C15H26N2/c1-6-9-10-11-14(13(5)17-8-3)15(16)12(4)7-2/h8,10-11H,6-7,9,16H2,1-5H3/b11-10-,14-13-,15-12-,17-8+
InChIKeyYFPKWTZPTKCDRU-KFUAOGBYSA-N
XLogP4.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.35
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 (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The IUPAC name of (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine (CID 126593736) is (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine.
What is the SMILES notation for (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The canonical SMILES for (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine is C/C=N/C(C)=C(/C=C\CCC)C(\N)=C(/C)CC.
What is the InChIKey of (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
The InChIKey is YFPKWTZPTKCDRU-KFUAOGBYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-9-10-11-14(13(5)17-8-3)15(16)12(4)7-2/h8,10-11H,6-7,9,16H2,1-5H3/b11-10-,14-13-,15-12-,17-8+.
What are the key properties of (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine?
(3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine has a molecular weight of 234.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,6Z)-5-[1-(ethylideneamino)ethylidene]-3-methyldeca-3,6-dien-4-amine is sourced from PubChem (CID 126593736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).