N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine

C13H23N — CID 89258689

IUPACN-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine
SMILESC=C/C(C)=N/C(CCC)=C(/C)CCC
InChIInChI=1S/C13H23N/c1-6-9-11(4)13(10-7-2)14-12(5)8-3/h8H,3,6-7,9-10H2,1-2,4-5H3/b13-11-,14-12+
InChIKeySNEQWIAOVKJJGM-HEEUSZRZSA-N
MW193.33 g/mol
LogP4.51
Rot. Bonds6

About N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine

N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine (PubChem CID 89258689) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine.

Molecular Properties

Compound NameN-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine
PubChem CID89258689
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine
SMILESC=C/C(C)=N/C(CCC)=C(/C)CCC
InChIInChI=1S/C13H23N/c1-6-9-11(4)13(10-7-2)14-12(5)8-3/h8H,3,6-7,9-10H2,1-2,4-5H3/b13-11-,14-12+
InChIKeySNEQWIAOVKJJGM-HEEUSZRZSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.51
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)-5-methyloct-4-en-4-yl]but-3-en-2-imine?
The IUPAC name of N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine (CID 89258689) is N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine.
What is the SMILES notation for N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine?
The canonical SMILES for N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine is C=C/C(C)=N/C(CCC)=C(/C)CCC.
What is the InChIKey of N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine?
The InChIKey is SNEQWIAOVKJJGM-HEEUSZRZSA-N. The full InChI is InChI=1S/C13H23N/c1-6-9-11(4)13(10-7-2)14-12(5)8-3/h8H,3,6-7,9-10H2,1-2,4-5H3/b13-11-,14-12+.
What are the key properties of N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine?
N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine has a molecular weight of 193.33 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-methyloct-4-en-4-yl]but-3-en-2-imine is sourced from PubChem (CID 89258689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).