(2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane

C16H26N2 — CID 145068829

IUPAC(2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane
SMILESC=C/C(CNC)=C(C=C)/C(C=C)=N/C=C\C.CC
InChIInChI=1S/C14H20N2.C2H6/c1-6-10-16-14(9-4)13(8-3)12(7-2)11-15-5;1-2/h6-10,15H,2-4,11H2,1,5H3;1-2H3/b10-6-,13-12-,16-14+;
InChIKeyWUSRBPNYMJIMDL-APJYIPDRSA-N
MW246.40 g/mol
LogP4.06
Rot. Bonds7

About (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane

(2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane (PubChem CID 145068829) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane.

Molecular Properties

Compound Name(2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane
PubChem CID145068829
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane
SMILESC=C/C(CNC)=C(C=C)/C(C=C)=N/C=C\C.CC
InChIInChI=1S/C14H20N2.C2H6/c1-6-10-16-14(9-4)13(8-3)12(7-2)11-15-5;1-2/h6-10,15H,2-4,11H2,1,5H3;1-2H3/b10-6-,13-12-,16-14+;
InChIKeyWUSRBPNYMJIMDL-APJYIPDRSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.06
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 (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane?
The IUPAC name of (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane (CID 145068829) is (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane.
What is the SMILES notation for (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane?
The canonical SMILES for (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane is C=C/C(CNC)=C(C=C)/C(C=C)=N/C=C\C.CC.
What is the InChIKey of (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane?
The InChIKey is WUSRBPNYMJIMDL-APJYIPDRSA-N. The full InChI is InChI=1S/C14H20N2.C2H6/c1-6-10-16-14(9-4)13(8-3)12(7-2)11-15-5;1-2/h6-10,15H,2-4,11H2,1,5H3;1-2H3/b10-6-,13-12-,16-14+;.
What are the key properties of (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane?
(2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane has a molecular weight of 246.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,3-bis(ethenyl)-N-methyl-4-[(Z)-prop-1-enyl]iminohexa-2,5-dien-1-amine;ethane is sourced from PubChem (CID 145068829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).