(1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine

C10H16N2 — CID 134286054

IUPAC(1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine
SMILESC/C=C\C(=CN)C(/C=C\C)=N/C
InChIInChI=1S/C10H16N2/c1-4-6-9(8-11)10(12-3)7-5-2/h4-8H,11H2,1-3H3/b6-4-,7-5-,9-8-,12-10+
InChIKeyHFUFZFYHNAPWTG-OPZLGOFPSA-N
MW164.25 g/mol
LogP2.05
Rot. Bonds3

About (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine

(1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine (PubChem CID 134286054) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine
PubChem CID134286054
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine
SMILESC/C=C\C(=CN)C(/C=C\C)=N/C
InChIInChI=1S/C10H16N2/c1-4-6-9(8-11)10(12-3)7-5-2/h4-8H,11H2,1-3H3/b6-4-,7-5-,9-8-,12-10+
InChIKeyHFUFZFYHNAPWTG-OPZLGOFPSA-N
XLogP2.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.05
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 (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine?
The IUPAC name of (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine (CID 134286054) is (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine.
What is the SMILES notation for (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine?
The canonical SMILES for (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine is C/C=C\C(=CN)C(/C=C\C)=N/C.
What is the InChIKey of (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine?
The InChIKey is HFUFZFYHNAPWTG-OPZLGOFPSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-6-9(8-11)10(12-3)7-5-2/h4-8H,11H2,1-3H3/b6-4-,7-5-,9-8-,12-10+.
What are the key properties of (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine?
(1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine has a molecular weight of 164.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-3-methylimino-2-[(Z)-prop-1-enyl]hexa-1,4-dien-1-amine is sourced from PubChem (CID 134286054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).