(Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine

C11H18N2 — CID 135270843

IUPAC(Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine
SMILESC=N/C(C)=C\NCC(/C=C\C)=C/C
InChIInChI=1S/C11H18N2/c1-5-7-11(6-2)9-13-8-10(3)12-4/h5-8,13H,4,9H2,1-3H3/b7-5-,10-8-,11-6+
InChIKeyLMTFHXCFWVGCCN-MDMKEOJPSA-N
MW178.28 g/mol
LogP2.66
Rot. Bonds5

About (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine

(Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine (PubChem CID 135270843) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine
PubChem CID135270843
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine
SMILESC=N/C(C)=C\NCC(/C=C\C)=C/C
InChIInChI=1S/C11H18N2/c1-5-7-11(6-2)9-13-8-10(3)12-4/h5-8,13H,4,9H2,1-3H3/b7-5-,10-8-,11-6+
InChIKeyLMTFHXCFWVGCCN-MDMKEOJPSA-N
XLogP2.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.66
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)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine?
The IUPAC name of (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine (CID 135270843) is (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine.
What is the SMILES notation for (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine?
The canonical SMILES for (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine is C=N/C(C)=C\NCC(/C=C\C)=C/C.
What is the InChIKey of (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine?
The InChIKey is LMTFHXCFWVGCCN-MDMKEOJPSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-7-11(6-2)9-13-8-10(3)12-4/h5-8,13H,4,9H2,1-3H3/b7-5-,10-8-,11-6+.
What are the key properties of (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine?
(Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine is sourced from PubChem (CID 135270843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).