(2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine

C11H19N — CID 156543161

IUPAC(2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine
SMILESC=C/N=C/C(=C\C)C(C)CCC
InChIInChI=1S/C11H19N/c1-5-8-10(4)11(6-2)9-12-7-3/h6-7,9-10H,3,5,8H2,1-2,4H3/b11-6+,12-9+
InChIKeySXYNHIUOHHJIFO-MOPWJCKASA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds5

About (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine

(2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine (PubChem CID 156543161) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine.

Molecular Properties

Compound Name(2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine
PubChem CID156543161
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine
SMILESC=C/N=C/C(=C\C)C(C)CCC
InChIInChI=1S/C11H19N/c1-5-8-10(4)11(6-2)9-12-7-3/h6-7,9-10H,3,5,8H2,1-2,4H3/b11-6+,12-9+
InChIKeySXYNHIUOHHJIFO-MOPWJCKASA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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 (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine?
The IUPAC name of (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine (CID 156543161) is (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine.
What is the SMILES notation for (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine?
The canonical SMILES for (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine is C=C/N=C/C(=C\C)C(C)CCC.
What is the InChIKey of (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine?
The InChIKey is SXYNHIUOHHJIFO-MOPWJCKASA-N. The full InChI is InChI=1S/C11H19N/c1-5-8-10(4)11(6-2)9-12-7-3/h6-7,9-10H,3,5,8H2,1-2,4H3/b11-6+,12-9+.
What are the key properties of (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine?
(2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethenyl-2-ethylidene-3-methylhexan-1-imine is sourced from PubChem (CID 156543161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).