(Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine

C11H18N2 — CID 144614866

IUPAC(Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine
SMILESC=N/C(C)=C(/C=C\C)C(=C/C)\CN
InChIInChI=1S/C11H18N2/c1-5-7-11(9(3)13-4)10(6-2)8-12/h5-7H,4,8,12H2,1-3H3/b7-5-,10-6-,11-9-
InChIKeyYBHOWCWMXRSKCG-CZFGCHMXSA-N
MW178.28 g/mol
LogP2.44
Rot. Bonds4

About (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine

(Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine (PubChem CID 144614866) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine.

Molecular Properties

Compound Name(Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine
PubChem CID144614866
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine
SMILESC=N/C(C)=C(/C=C\C)C(=C/C)\CN
InChIInChI=1S/C11H18N2/c1-5-7-11(9(3)13-4)10(6-2)8-12/h5-7H,4,8,12H2,1-3H3/b7-5-,10-6-,11-9-
InChIKeyYBHOWCWMXRSKCG-CZFGCHMXSA-N
XLogP2.44
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.44
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 (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine?
The IUPAC name of (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine (CID 144614866) is (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine.
What is the SMILES notation for (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine?
The canonical SMILES for (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine is C=N/C(C)=C(/C=C\C)C(=C/C)\CN.
What is the InChIKey of (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine?
The InChIKey is YBHOWCWMXRSKCG-CZFGCHMXSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-7-11(9(3)13-4)10(6-2)8-12/h5-7H,4,8,12H2,1-3H3/b7-5-,10-6-,11-9-.
What are the key properties of (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine?
(Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine is sourced from PubChem (CID 144614866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).