(E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine

C9H17N3 — CID 138702855

IUPAC(E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine
SMILESC=C/C(=C\C(C)=N/NC)C(C)N
InChIInChI=1S/C9H17N3/c1-5-9(8(3)10)6-7(2)12-11-4/h5-6,8,11H,1,10H2,2-4H3/b9-6+,12-7-
InChIKeyKXDGZICWLVYEDY-LEEXECPKSA-N
MW167.26 g/mol
LogP1.04
Rot. Bonds4

About (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine

(E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine (PubChem CID 138702855) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine.

Molecular Properties

Compound Name(E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine
PubChem CID138702855
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine
SMILESC=C/C(=C\C(C)=N/NC)C(C)N
InChIInChI=1S/C9H17N3/c1-5-9(8(3)10)6-7(2)12-11-4/h5-6,8,11H,1,10H2,2-4H3/b9-6+,12-7-
InChIKeyKXDGZICWLVYEDY-LEEXECPKSA-N
XLogP1.04
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine?
The IUPAC name of (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine (CID 138702855) is (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine.
What is the SMILES notation for (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine?
The canonical SMILES for (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine is C=C/C(=C\C(C)=N/NC)C(C)N.
What is the InChIKey of (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine?
The InChIKey is KXDGZICWLVYEDY-LEEXECPKSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-9(8(3)10)6-7(2)12-11-4/h5-6,8,11H,1,10H2,2-4H3/b9-6+,12-7-.
What are the key properties of (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine?
(E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5Z)-3-ethenyl-5-(methylhydrazinylidene)hex-3-en-2-amine is sourced from PubChem (CID 138702855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).