N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine

C9H16N2 — CID 129101834

IUPACN-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine
SMILESC/C=N/C=C(\N=C\C)C(C)C
InChIInChI=1S/C9H16N2/c1-5-10-7-9(8(3)4)11-6-2/h5-8H,1-4H3/b9-7-,10-5+,11-6+
InChIKeyGSIWEHOKYSYCEE-FQUBDNGYSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds3

About N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine

N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine (PubChem CID 129101834) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine
PubChem CID129101834
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine
SMILESC/C=N/C=C(\N=C\C)C(C)C
InChIInChI=1S/C9H16N2/c1-5-10-7-9(8(3)4)11-6-2/h5-8H,1-4H3/b9-7-,10-5+,11-6+
InChIKeyGSIWEHOKYSYCEE-FQUBDNGYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine (CID 129101834) is N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine is C/C=N/C=C(\N=C\C)C(C)C.
What is the InChIKey of N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine?
The InChIKey is GSIWEHOKYSYCEE-FQUBDNGYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-10-7-9(8(3)4)11-6-2/h5-8H,1-4H3/b9-7-,10-5+,11-6+.
What are the key properties of N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine?
N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine has a molecular weight of 152.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethylideneamino)-3-methylbut-1-enyl]ethanimine is sourced from PubChem (CID 129101834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).