(Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine

C8H14N2 — CID 90208066

IUPAC(Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine
SMILESC=N/N=C(C)\C=C(/C)CC
InChIInChI=1S/C8H14N2/c1-5-7(2)6-8(3)10-9-4/h6H,4-5H2,1-3H3/b7-6+,10-8-
InChIKeyAKUPKLIZNMVFTC-QDJLDCPTSA-N
MW138.21 g/mol
LogP2.42
Rot. Bonds3

About (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine

(Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine (PubChem CID 90208066) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine.

Molecular Properties

Compound Name(Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine
PubChem CID90208066
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine
SMILESC=N/N=C(C)\C=C(/C)CC
InChIInChI=1S/C8H14N2/c1-5-7(2)6-8(3)10-9-4/h6H,4-5H2,1-3H3/b7-6+,10-8-
InChIKeyAKUPKLIZNMVFTC-QDJLDCPTSA-N
XLogP2.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.42
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)-4-methyl-N-(methylideneamino)hex-3-en-2-imine?
The IUPAC name of (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine (CID 90208066) is (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine.
What is the SMILES notation for (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine?
The canonical SMILES for (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine is C=N/N=C(C)\C=C(/C)CC.
What is the InChIKey of (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine?
The InChIKey is AKUPKLIZNMVFTC-QDJLDCPTSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-7(2)6-8(3)10-9-4/h6H,4-5H2,1-3H3/b7-6+,10-8-.
What are the key properties of (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine?
(Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine has a molecular weight of 138.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-4-methyl-N-(methylideneamino)hex-3-en-2-imine is sourced from PubChem (CID 90208066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).