(5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine

C15H21N3O — CID 138637501

IUPAC(5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine
SMILESC=C(/C=c1/c(C)cc(N(C)CCC)n/c1=C/C)N=O
InChIInChI=1S/C15H21N3O/c1-6-8-18(5)15-9-11(3)13(10-12(4)17-19)14(7-2)16-15/h7,9-10H,4,6,8H2,1-3,5H3/b13-10-,14-7+
InChIKeyGUALJXLOIKGTIG-GYPMENPKSA-N
MW259.35 g/mol
LogP2.10
Rot. Bonds5

About (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine

(5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine (PubChem CID 138637501) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name(5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine
PubChem CID138637501
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine
SMILESC=C(/C=c1/c(C)cc(N(C)CCC)n/c1=C/C)N=O
InChIInChI=1S/C15H21N3O/c1-6-8-18(5)15-9-11(3)13(10-12(4)17-19)14(7-2)16-15/h7,9-10H,4,6,8H2,1-3,5H3/b13-10-,14-7+
InChIKeyGUALJXLOIKGTIG-GYPMENPKSA-N
XLogP2.10
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine?
The IUPAC name of (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine (CID 138637501) is (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine.
What is the SMILES notation for (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine?
The canonical SMILES for (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine is C=C(/C=c1/c(C)cc(N(C)CCC)n/c1=C/C)N=O.
What is the InChIKey of (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine?
The InChIKey is GUALJXLOIKGTIG-GYPMENPKSA-N. The full InChI is InChI=1S/C15H21N3O/c1-6-8-18(5)15-9-11(3)13(10-12(4)17-19)14(7-2)16-15/h7,9-10H,4,6,8H2,1-3,5H3/b13-10-,14-7+.
What are the key properties of (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine?
(5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-ethylidene-N,4-dimethyl-5-(2-nitrosoprop-2-enylidene)-N-propylpyridin-2-amine is sourced from PubChem (CID 138637501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).