(Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine

C9H16N2 — CID 123391206

IUPAC(Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine
SMILESC/C=N\N=C(C)\C(C)=C\CC
InChIInChI=1S/C9H16N2/c1-5-7-8(3)9(4)11-10-6-2/h6-7H,5H2,1-4H3/b8-7+,10-6-,11-9+
InChIKeyYGZUSDXFRDRROJ-KTXBIABASA-N
MW152.24 g/mol
LogP2.81
Rot. Bonds3

About (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine

(Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine (PubChem CID 123391206) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine
PubChem CID123391206
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine
SMILESC/C=N\N=C(C)\C(C)=C\CC
InChIInChI=1S/C9H16N2/c1-5-7-8(3)9(4)11-10-6-2/h6-7H,5H2,1-4H3/b8-7+,10-6-,11-9+
InChIKeyYGZUSDXFRDRROJ-KTXBIABASA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine?
The IUPAC name of (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine (CID 123391206) is (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine.
What is the SMILES notation for (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine?
The canonical SMILES for (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine is C/C=N\N=C(C)\C(C)=C\CC.
What is the InChIKey of (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine?
The InChIKey is YGZUSDXFRDRROJ-KTXBIABASA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7-8(3)9(4)11-10-6-2/h6-7H,5H2,1-4H3/b8-7+,10-6-,11-9+.
What are the key properties of (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine?
(Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine has a molecular weight of 152.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-N-[(Z)-ethylideneamino]-3-methylhex-3-en-2-imine is sourced from PubChem (CID 123391206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).