N-butylbut-3-en-2-imine

C8H15N — CID 123746892

IUPACN-butylbut-3-en-2-imine
SMILESC=C/C(C)=N/CCCC
InChIInChI=1S/C8H15N/c1-4-6-7-9-8(3)5-2/h5H,2,4,6-7H2,1,3H3/b9-8+
InChIKeyGTZJKUBYSDEGLF-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds4

About N-butylbut-3-en-2-imine

N-butylbut-3-en-2-imine (PubChem CID 123746892) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-butylbut-3-en-2-imine.

Molecular Properties

Compound NameN-butylbut-3-en-2-imine
PubChem CID123746892
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-butylbut-3-en-2-imine
SMILESC=C/C(C)=N/CCCC
InChIInChI=1S/C8H15N/c1-4-6-7-9-8(3)5-2/h5H,2,4,6-7H2,1,3H3/b9-8+
InChIKeyGTZJKUBYSDEGLF-CMDGGOBGSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylbut-3-en-2-imine?
The IUPAC name of N-butylbut-3-en-2-imine (CID 123746892) is N-butylbut-3-en-2-imine.
What is the SMILES notation for N-butylbut-3-en-2-imine?
The canonical SMILES for N-butylbut-3-en-2-imine is C=C/C(C)=N/CCCC.
What is the InChIKey of N-butylbut-3-en-2-imine?
The InChIKey is GTZJKUBYSDEGLF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-7-9-8(3)5-2/h5H,2,4,6-7H2,1,3H3/b9-8+.
What are the key properties of N-butylbut-3-en-2-imine?
N-butylbut-3-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbut-3-en-2-imine is sourced from PubChem (CID 123746892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).