(2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine

C9H16N2 — CID 122431049

IUPAC(2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C\C(=C/C=N/CC)NC
InChIInChI=1S/C9H16N2/c1-4-6-9(10-3)7-8-11-5-2/h4,6-8,10H,5H2,1-3H3/b6-4-,9-7+,11-8+
InChIKeyQCBJJUMDUNWYQZ-FWHLFXCYSA-N
MW152.24 g/mol
LogP1.76
Rot. Bonds4

About (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine

(2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine (PubChem CID 122431049) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine
PubChem CID122431049
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C\C(=C/C=N/CC)NC
InChIInChI=1S/C9H16N2/c1-4-6-9(10-3)7-8-11-5-2/h4,6-8,10H,5H2,1-3H3/b6-4-,9-7+,11-8+
InChIKeyQCBJJUMDUNWYQZ-FWHLFXCYSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.76
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)-1-ethylimino-N-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine (CID 122431049) is (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine is C/C=C\C(=C/C=N/CC)NC.
What is the InChIKey of (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine?
The InChIKey is QCBJJUMDUNWYQZ-FWHLFXCYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-6-9(10-3)7-8-11-5-2/h4,6-8,10H,5H2,1-3H3/b6-4-,9-7+,11-8+.
What are the key properties of (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine?
(2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine has a molecular weight of 152.24 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 122431049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).