(2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine

C18H26N2 — CID 163248349

IUPAC(2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine
SMILESC=NC(=C(\C=C/CN)C/C=C/C)/C(/C=C\C)=C/C=C/C
InChIInChI=1S/C18H26N2/c1-5-8-12-16(11-7-3)18(20-4)17(13-9-6-2)14-10-15-19/h5-12,14H,4,13,15,19H2,1-3H3/b8-5+,9-6+,11-7-,14-10-,16-12+,18-17-
InChIKeyPWLBTTOSUDRJFG-FNGBFZPDSA-N
MW270.42 g/mol
LogP4.50
Rot. Bonds8

About (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine

(2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine (PubChem CID 163248349) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine
PubChem CID163248349
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine
SMILESC=NC(=C(\C=C/CN)C/C=C/C)/C(/C=C\C)=C/C=C/C
InChIInChI=1S/C18H26N2/c1-5-8-12-16(11-7-3)18(20-4)17(13-9-6-2)14-10-15-19/h5-12,14H,4,13,15,19H2,1-3H3/b8-5+,9-6+,11-7-,14-10-,16-12+,18-17-
InChIKeyPWLBTTOSUDRJFG-FNGBFZPDSA-N
XLogP4.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine (CID 163248349) is (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine is C=NC(=C(\C=C/CN)C/C=C/C)/C(/C=C\C)=C/C=C/C.
What is the InChIKey of (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine?
The InChIKey is PWLBTTOSUDRJFG-FNGBFZPDSA-N. The full InChI is InChI=1S/C18H26N2/c1-5-8-12-16(11-7-3)18(20-4)17(13-9-6-2)14-10-15-19/h5-12,14H,4,13,15,19H2,1-3H3/b8-5+,9-6+,11-7-,14-10-,16-12+,18-17-.
What are the key properties of (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine?
(2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 163248349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).