(2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine

C11H16N2 — CID 142446949

IUPAC(2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine
SMILESC=N/C=C\C(=C\C(N)=C/C)C(=C)C
InChIInChI=1S/C11H16N2/c1-5-11(12)8-10(9(2)3)6-7-13-4/h5-8H,2,4,12H2,1,3H3/b7-6-,10-8-,11-5+
InChIKeyCHERUSZMDGLNRQ-WKHKJXMMSA-N
MW176.26 g/mol
LogP2.57
Rot. Bonds4

About (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine

(2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine (PubChem CID 142446949) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine
PubChem CID142446949
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine
SMILESC=N/C=C\C(=C\C(N)=C/C)C(=C)C
InChIInChI=1S/C11H16N2/c1-5-11(12)8-10(9(2)3)6-7-13-4/h5-8H,2,4,12H2,1,3H3/b7-6-,10-8-,11-5+
InChIKeyCHERUSZMDGLNRQ-WKHKJXMMSA-N
XLogP2.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.57
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 (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine (CID 142446949) is (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine is C=N/C=C\C(=C\C(N)=C/C)C(=C)C.
What is the InChIKey of (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine?
The InChIKey is CHERUSZMDGLNRQ-WKHKJXMMSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-11(12)8-10(9(2)3)6-7-13-4/h5-8H,2,4,12H2,1,3H3/b7-6-,10-8-,11-5+.
What are the key properties of (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine?
(2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine has a molecular weight of 176.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-methyl-5-[(Z)-2-(methylideneamino)ethenyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 142446949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).