(2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine

C13H22N2 — CID 176952910

IUPAC(2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C(=N/C)N1CCCC1)C(C)C
InChIInChI=1S/C13H22N2/c1-5-12(11(2)3)10-13(14-4)15-8-6-7-9-15/h5,10-11H,1,6-9H2,2-4H3/b12-10+,14-13+
InChIKeyAAGLIXVTENHAST-HBKPYOMSSA-N
MW206.33 g/mol
LogP2.88
Rot. Bonds3

About (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine

(2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine (PubChem CID 176952910) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine
PubChem CID176952910
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine
SMILESC=C/C(=C\C(=N/C)N1CCCC1)C(C)C
InChIInChI=1S/C13H22N2/c1-5-12(11(2)3)10-13(14-4)15-8-6-7-9-15/h5,10-11H,1,6-9H2,2-4H3/b12-10+,14-13+
InChIKeyAAGLIXVTENHAST-HBKPYOMSSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine (CID 176952910) is (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine is C=C/C(=C\C(=N/C)N1CCCC1)C(C)C.
What is the InChIKey of (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine?
The InChIKey is AAGLIXVTENHAST-HBKPYOMSSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-12(11(2)3)10-13(14-4)15-8-6-7-9-15/h5,10-11H,1,6-9H2,2-4H3/b12-10+,14-13+.
What are the key properties of (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine?
(2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine has a molecular weight of 206.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-3-propan-2-yl-1-pyrrolidin-1-ylpenta-2,4-dien-1-imine is sourced from PubChem (CID 176952910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).