(1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine

C19H26N2 — CID 129169935

IUPAC(1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine
SMILESC=N/C=c1/cc(/C(=C/C=C\C)NC)cc/c1=C/CCCC
InChIInChI=1S/C19H26N2/c1-5-7-9-10-16-12-13-17(14-18(16)15-20-3)19(21-4)11-8-6-2/h6,8,10-15,21H,3,5,7,9H2,1-2,4H3/b8-6-,16-10-,18-15-,19-11-
InChIKeyUVKLFLLEMMIHMT-QSQQMOECSA-N
MW282.43 g/mol
LogP3.23
Rot. Bonds7

About (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine

(1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine (PubChem CID 129169935) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine
PubChem CID129169935
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine
SMILESC=N/C=c1/cc(/C(=C/C=C\C)NC)cc/c1=C/CCCC
InChIInChI=1S/C19H26N2/c1-5-7-9-10-16-12-13-17(14-18(16)15-20-3)19(21-4)11-8-6-2/h6,8,10-15,21H,3,5,7,9H2,1-2,4H3/b8-6-,16-10-,18-15-,19-11-
InChIKeyUVKLFLLEMMIHMT-QSQQMOECSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine (CID 129169935) is (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine is C=N/C=c1/cc(/C(=C/C=C\C)NC)cc/c1=C/CCCC.
What is the InChIKey of (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine?
The InChIKey is UVKLFLLEMMIHMT-QSQQMOECSA-N. The full InChI is InChI=1S/C19H26N2/c1-5-7-9-10-16-12-13-17(14-18(16)15-20-3)19(21-4)11-8-6-2/h6,8,10-15,21H,3,5,7,9H2,1-2,4H3/b8-6-,16-10-,18-15-,19-11-.
What are the key properties of (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine?
(1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine has a molecular weight of 282.43 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-methyl-1-[(3Z,4Z)-3-[(methylideneamino)methylidene]-4-pentylidenecyclohexa-1,5-dien-1-yl]penta-1,3-dien-1-amine is sourced from PubChem (CID 129169935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).