N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine

C8H14N2 — CID 118566069

IUPACN-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
SMILESC=N/C(=C\N=C\C)C(C)C
InChIInChI=1S/C8H14N2/c1-5-10-6-8(9-4)7(2)3/h5-7H,4H2,1-3H3/b8-6-,10-5+
InChIKeyCWUSIVLJGFNJMV-LTFLHPNNSA-N
MW138.21 g/mol
LogP2.28
Rot. Bonds3

About N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine

N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine (PubChem CID 118566069) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
PubChem CID118566069
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine
SMILESC=N/C(=C\N=C\C)C(C)C
InChIInChI=1S/C8H14N2/c1-5-10-6-8(9-4)7(2)3/h5-7H,4H2,1-3H3/b8-6-,10-5+
InChIKeyCWUSIVLJGFNJMV-LTFLHPNNSA-N
XLogP2.28
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 ≤ 52.28
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)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine?
The IUPAC name of N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine (CID 118566069) is N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine.
What is the SMILES notation for N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine?
The canonical SMILES for N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine is C=N/C(=C\N=C\C)C(C)C.
What is the InChIKey of N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine?
The InChIKey is CWUSIVLJGFNJMV-LTFLHPNNSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-10-6-8(9-4)7(2)3/h5-7H,4H2,1-3H3/b8-6-,10-5+.
What are the key properties of N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine?
N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine has a molecular weight of 138.21 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyl-2-(methylideneamino)but-1-enyl]ethanimine is sourced from PubChem (CID 118566069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).