(2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine

C11H19N — CID 129067097

IUPAC(2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine
SMILESC=C(C(=C/C)/C=N/CC)C(C)C
InChIInChI=1S/C11H19N/c1-6-11(8-12-7-2)10(5)9(3)4/h6,8-9H,5,7H2,1-4H3/b11-6+,12-8+
InChIKeyXVKWUKUIYGBWQQ-DECBNBDHSA-N
MW165.28 g/mol
LogP3.24
Rot. Bonds4

About (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine

(2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine (PubChem CID 129067097) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine
PubChem CID129067097
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine
SMILESC=C(C(=C/C)/C=N/CC)C(C)C
InChIInChI=1S/C11H19N/c1-6-11(8-12-7-2)10(5)9(3)4/h6,8-9H,5,7H2,1-4H3/b11-6+,12-8+
InChIKeyXVKWUKUIYGBWQQ-DECBNBDHSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine?
The IUPAC name of (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine (CID 129067097) is (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine.
What is the SMILES notation for (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine?
The canonical SMILES for (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine is C=C(C(=C/C)/C=N/CC)C(C)C.
What is the InChIKey of (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine?
The InChIKey is XVKWUKUIYGBWQQ-DECBNBDHSA-N. The full InChI is InChI=1S/C11H19N/c1-6-11(8-12-7-2)10(5)9(3)4/h6,8-9H,5,7H2,1-4H3/b11-6+,12-8+.
What are the key properties of (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine?
(2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-2-ethylidene-4-methyl-3-methylidenepentan-1-imine is sourced from PubChem (CID 129067097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).