N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine

C13H23N — CID 167231130

IUPACN-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine
SMILESC=CC(CCC/N=C/CCC)C(=C)C
InChIInChI=1S/C13H23N/c1-5-7-10-14-11-8-9-13(6-2)12(3)4/h6,10,13H,2-3,5,7-9,11H2,1,4H3/b14-10+
InChIKeyXUGROKQNXJPFOX-GXDHUFHOSA-N
MW193.33 g/mol
LogP4.02
Rot. Bonds8

About N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine

N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine (PubChem CID 167231130) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine.

Molecular Properties

Compound NameN-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine
PubChem CID167231130
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine
SMILESC=CC(CCC/N=C/CCC)C(=C)C
InChIInChI=1S/C13H23N/c1-5-7-10-14-11-8-9-13(6-2)12(3)4/h6,10,13H,2-3,5,7-9,11H2,1,4H3/b14-10+
InChIKeyXUGROKQNXJPFOX-GXDHUFHOSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.02
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine?
The IUPAC name of N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine (CID 167231130) is N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine.
What is the SMILES notation for N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine?
The canonical SMILES for N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine is C=CC(CCC/N=C/CCC)C(=C)C.
What is the InChIKey of N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine?
The InChIKey is XUGROKQNXJPFOX-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H23N/c1-5-7-10-14-11-8-9-13(6-2)12(3)4/h6,10,13H,2-3,5,7-9,11H2,1,4H3/b14-10+.
What are the key properties of N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine?
N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethenyl-5-methylhex-5-enyl)butan-1-imine is sourced from PubChem (CID 167231130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).