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

C9H16N2 — CID 123457704

IUPAC(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine
SMILESC=N/N=C(C)\C(=C\CC)CC
InChIInChI=1S/C9H16N2/c1-5-7-9(6-2)8(3)11-10-4/h7H,4-6H2,1-3H3/b9-7+,11-8-
InChIKeyVZJKEJJQGSKWBX-BGZVTZOUSA-N
MW152.24 g/mol
LogP2.81
Rot. Bonds4

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

(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine (PubChem CID 123457704) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine.

Molecular Properties

Compound Name(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine
PubChem CID123457704
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine
SMILESC=N/N=C(C)\C(=C\CC)CC
InChIInChI=1S/C9H16N2/c1-5-7-9(6-2)8(3)11-10-4/h7H,4-6H2,1-3H3/b9-7+,11-8-
InChIKeyVZJKEJJQGSKWBX-BGZVTZOUSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

(3E,5E)-4,5-diethylocta-3,5-diene
CID 5368963
N-butan-2-yl-3-ethylhex-3-en-2-imine
CID 123227032
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491
(3E)-4,5-diethyl-3-methylocta-3,5-diene
CID 177392268
N-(methylideneamino)pentan-3-imine
CID 123972689
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
N-[(E)-hex-3-en-3-yl]methanimine
CID 130348791
(E)-2-[(Z)-pent-2-en-3-yl]pent-2-en-1-amine
CID 89032252
(E)-N-(methylideneamino)hex-3-en-3-amine
CID 126654045
(3Z,5E)-4,5-diethyl-3-iodoocta-3,5-diene
CID 15329333
N-[(E)-3-methylhex-3-en-2-yl]methanimine
CID 143536776
4-ethylhept-4-en-3-imine
CID 15439670

Frequently Asked Questions

What is the IUPAC name of (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine?
The IUPAC name of (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine (CID 123457704) is (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine.
What is the SMILES notation for (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine?
The canonical SMILES for (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine is C=N/N=C(C)\C(=C\CC)CC.
What is the InChIKey of (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine?
The InChIKey is VZJKEJJQGSKWBX-BGZVTZOUSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7-9(6-2)8(3)11-10-4/h7H,4-6H2,1-3H3/b9-7+,11-8-.
What are the key properties of (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine?
(Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine has a molecular weight of 152.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,E)-3-ethyl-N-(methylideneamino)hex-3-en-2-imine is sourced from PubChem (CID 123457704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).