(4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine

C13H24N2 — CID 144991696

IUPAC(4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine
SMILESC/C=C(/C)C=C(C)C.C=C(C)/C=N\NC
InChIInChI=1S/C8H14.C5H10N2/c1-5-8(4)6-7(2)3;1-5(2)4-7-6-3/h5-6H,1-4H3;4,6H,1H2,2-3H3/b8-5-;7-4-
InChIKeyYRQJAQWOUJPPOD-NIWFQYETSA-N
MW208.35 g/mol
LogP3.69
Rot. Bonds3

About (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine

(4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine (PubChem CID 144991696) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine.

Molecular Properties

Compound Name(4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine
PubChem CID144991696
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine
SMILESC/C=C(/C)C=C(C)C.C=C(C)/C=N\NC
InChIInChI=1S/C8H14.C5H10N2/c1-5-8(4)6-7(2)3;1-5(2)4-7-6-3/h5-6H,1-4H3;4,6H,1H2,2-3H3/b8-5-;7-4-
InChIKeyYRQJAQWOUJPPOD-NIWFQYETSA-N
XLogP3.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.69
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 (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine?
The IUPAC name of (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine (CID 144991696) is (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine.
What is the SMILES notation for (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine?
The canonical SMILES for (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine is C/C=C(/C)C=C(C)C.C=C(C)/C=N\NC.
What is the InChIKey of (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine?
The InChIKey is YRQJAQWOUJPPOD-NIWFQYETSA-N. The full InChI is InChI=1S/C8H14.C5H10N2/c1-5-8(4)6-7(2)3;1-5(2)4-7-6-3/h5-6H,1-4H3;4,6H,1H2,2-3H3/b8-5-;7-4-.
What are the key properties of (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine?
(4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine has a molecular weight of 208.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,4-dimethylhexa-2,4-diene;N-[(Z)-2-methylprop-2-enylideneamino]methanamine is sourced from PubChem (CID 144991696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).