(E)-4-ethyl-2,3-bis(methylimino)hex-4-enal

C10H16N2O — CID 166707318

IUPAC(E)-4-ethyl-2,3-bis(methylimino)hex-4-enal
SMILESC/C=C(CC)/C(=N\C)C(/C=O)=N/C
InChIInChI=1S/C10H16N2O/c1-5-8(6-2)10(12-4)9(7-13)11-3/h5,7H,6H2,1-4H3/b8-5+,11-9+,12-10+
InChIKeyPNNZRCNWLMSSDX-YBHDQPKJSA-N
MW180.25 g/mol
LogP1.68
Rot. Bonds4

About (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal

(E)-4-ethyl-2,3-bis(methylimino)hex-4-enal (PubChem CID 166707318) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal.

Molecular Properties

Compound Name(E)-4-ethyl-2,3-bis(methylimino)hex-4-enal
PubChem CID166707318
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(E)-4-ethyl-2,3-bis(methylimino)hex-4-enal
SMILESC/C=C(CC)/C(=N\C)C(/C=O)=N/C
InChIInChI=1S/C10H16N2O/c1-5-8(6-2)10(12-4)9(7-13)11-3/h5,7H,6H2,1-4H3/b8-5+,11-9+,12-10+
InChIKeyPNNZRCNWLMSSDX-YBHDQPKJSA-N
XLogP1.68
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z,2S)-4-ethyl-3-methyliminohex-4-en-2-amine
CID 166949543
3-ethylpent-3-en-2-one
CID 54009630
(E)-2-ethylbut-2-enoic acid;hydrate
CID 162318068
(2E)-2-hydroxyiminobutanal
CID 141198378
3-methoxy-2-methyliminobut-3-enal
CID 170587442
azanium 2-ethylbut-2-enoate
CID 141087619
N,3-dimethyl-5-methylidenehept-2-en-4-imine
CID 123734855
(E)-2-ethyl-N,N-dimethylbut-2-enamide
CID 143612571
ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
CID 143085238
(Z)-4-amino-2-methyliminohex-3-enoic acid
CID 145463357
(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
CID 24977366
acetaldehyde;ethane-1,2-diol
CID 22738127

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal?
The IUPAC name of (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal (CID 166707318) is (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal.
What is the SMILES notation for (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal?
The canonical SMILES for (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal is C/C=C(CC)/C(=N\C)C(/C=O)=N/C.
What is the InChIKey of (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal?
The InChIKey is PNNZRCNWLMSSDX-YBHDQPKJSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-8(6-2)10(12-4)9(7-13)11-3/h5,7H,6H2,1-4H3/b8-5+,11-9+,12-10+.
What are the key properties of (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal?
(E)-4-ethyl-2,3-bis(methylimino)hex-4-enal has a molecular weight of 180.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-2,3-bis(methylimino)hex-4-enal is sourced from PubChem (CID 166707318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).