(3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine

C14H21ClN2 — CID 143278288

IUPAC(3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine
SMILESCC/C(Cl)=C\C=C1\C(N(C)C)=CC=NC1(C)C
InChIInChI=1S/C14H21ClN2/c1-6-11(15)7-8-12-13(17(4)5)9-10-16-14(12,2)3/h7-10H,6H2,1-5H3/b11-7+,12-8-
InChIKeyLZCZAPKWGBVDOF-RLCSYUECSA-N
MW252.79 g/mol
LogP3.75
Rot. Bonds3

About (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine

(3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine (PubChem CID 143278288) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine.

Molecular Properties

Compound Name(3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine
PubChem CID143278288
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name(3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine
SMILESCC/C(Cl)=C\C=C1\C(N(C)C)=CC=NC1(C)C
InChIInChI=1S/C14H21ClN2/c1-6-11(15)7-8-12-13(17(4)5)9-10-16-14(12,2)3/h7-10H,6H2,1-5H3/b11-7+,12-8-
InChIKeyLZCZAPKWGBVDOF-RLCSYUECSA-N
XLogP3.75
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine?
The IUPAC name of (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine (CID 143278288) is (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine.
What is the SMILES notation for (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine?
The canonical SMILES for (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine is CC/C(Cl)=C\C=C1\C(N(C)C)=CC=NC1(C)C.
What is the InChIKey of (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine?
The InChIKey is LZCZAPKWGBVDOF-RLCSYUECSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-6-11(15)7-8-12-13(17(4)5)9-10-16-14(12,2)3/h7-10H,6H2,1-5H3/b11-7+,12-8-.
What are the key properties of (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine?
(3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine has a molecular weight of 252.79 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-3-chloropent-2-enylidene]-N,N,2,2-tetramethylpyridin-4-amine is sourced from PubChem (CID 143278288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).