N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine

C13H18N2 — CID 131966825

IUPACN-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine
SMILESC=C/C(C)=C\C=C(/C=C)C(=C)/C=N\NC
InChIInChI=1S/C13H18N2/c1-6-11(3)8-9-13(7-2)12(4)10-15-14-5/h6-10,14H,1-2,4H2,3,5H3/b11-8-,13-9+,15-10-
InChIKeyXQRZIUSRCFVAAI-XWJQIYSNSA-N
MW202.30 g/mol
LogP2.99
Rot. Bonds6

About N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine

N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine (PubChem CID 131966825) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine
PubChem CID131966825
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine
SMILESC=C/C(C)=C\C=C(/C=C)C(=C)/C=N\NC
InChIInChI=1S/C13H18N2/c1-6-11(3)8-9-13(7-2)12(4)10-15-14-5/h6-10,14H,1-2,4H2,3,5H3/b11-8-,13-9+,15-10-
InChIKeyXQRZIUSRCFVAAI-XWJQIYSNSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine (CID 131966825) is N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine is C=C/C(C)=C\C=C(/C=C)C(=C)/C=N\NC.
What is the InChIKey of N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine?
The InChIKey is XQRZIUSRCFVAAI-XWJQIYSNSA-N. The full InChI is InChI=1S/C13H18N2/c1-6-11(3)8-9-13(7-2)12(4)10-15-14-5/h6-10,14H,1-2,4H2,3,5H3/b11-8-,13-9+,15-10-.
What are the key properties of N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine?
N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine has a molecular weight of 202.30 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3E,5Z)-3-ethenyl-6-methyl-2-methylideneocta-3,5,7-trienylidene]amino]methanamine is sourced from PubChem (CID 131966825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).