N-[(Z)-but-1-enyl]butan-2-imine

C8H15N — CID 88931728

IUPACN-[(Z)-but-1-enyl]butan-2-imine
SMILESCC/C=C\N=C(/C)CC
InChIInChI=1S/C8H15N/c1-4-6-7-9-8(3)5-2/h6-7H,4-5H2,1-3H3/b7-6-,9-8+
InChIKeyGFNQOCXHNOVDPE-NMMTYZSQSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds3

About N-[(Z)-but-1-enyl]butan-2-imine

N-[(Z)-but-1-enyl]butan-2-imine (PubChem CID 88931728) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-[(Z)-but-1-enyl]butan-2-imine.

Molecular Properties

Compound NameN-[(Z)-but-1-enyl]butan-2-imine
PubChem CID88931728
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-[(Z)-but-1-enyl]butan-2-imine
SMILESCC/C=C\N=C(/C)CC
InChIInChI=1S/C8H15N/c1-4-6-7-9-8(3)5-2/h6-7H,4-5H2,1-3H3/b7-6-,9-8+
InChIKeyGFNQOCXHNOVDPE-NMMTYZSQSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-but-1-enyl]butan-2-imine?
The IUPAC name of N-[(Z)-but-1-enyl]butan-2-imine (CID 88931728) is N-[(Z)-but-1-enyl]butan-2-imine.
What is the SMILES notation for N-[(Z)-but-1-enyl]butan-2-imine?
The canonical SMILES for N-[(Z)-but-1-enyl]butan-2-imine is CC/C=C\N=C(/C)CC.
What is the InChIKey of N-[(Z)-but-1-enyl]butan-2-imine?
The InChIKey is GFNQOCXHNOVDPE-NMMTYZSQSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-7-9-8(3)5-2/h6-7H,4-5H2,1-3H3/b7-6-,9-8+.
What are the key properties of N-[(Z)-but-1-enyl]butan-2-imine?
N-[(Z)-but-1-enyl]butan-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enyl]butan-2-imine is sourced from PubChem (CID 88931728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).