(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine

C14H25F2N3O — CID 146561503

IUPAC(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine
SMILESC=C(/C=C\C(NC)=C(/C)N(C)CCN(C)C)OC(F)F
InChIInChI=1S/C14H25F2N3O/c1-11(20-14(15)16)7-8-13(17-3)12(2)19(6)10-9-18(4)5/h7-8,14,17H,1,9-10H2,2-6H3/b8-7-,13-12-
InChIKeyNUZLASTZSCYOTO-QOTUMQCOSA-N
MW289.37 g/mol
LogP2.24
Rot. Bonds9

About (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine

(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine (PubChem CID 146561503) has the molecular formula C14H25F2N3O and a molecular weight of 289.37 g/mol. Its IUPAC name is (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine.

Molecular Properties

Compound Name(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine
PubChem CID146561503
Molecular FormulaC14H25F2N3O
Molecular Weight289.37 g/mol
Exact Mass289.20
IUPAC Name(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine
SMILESC=C(/C=C\C(NC)=C(/C)N(C)CCN(C)C)OC(F)F
InChIInChI=1S/C14H25F2N3O/c1-11(20-14(15)16)7-8-13(17-3)12(2)19(6)10-9-18(4)5/h7-8,14,17H,1,9-10H2,2-6H3/b8-7-,13-12-
InChIKeyNUZLASTZSCYOTO-QOTUMQCOSA-N
XLogP2.24
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine?
The IUPAC name of (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine (CID 146561503) is (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine.
What is the SMILES notation for (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine?
The canonical SMILES for (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine is C=C(/C=C\C(NC)=C(/C)N(C)CCN(C)C)OC(F)F.
What is the InChIKey of (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine?
The InChIKey is NUZLASTZSCYOTO-QOTUMQCOSA-N. The full InChI is InChI=1S/C14H25F2N3O/c1-11(20-14(15)16)7-8-13(17-3)12(2)19(6)10-9-18(4)5/h7-8,14,17H,1,9-10H2,2-6H3/b8-7-,13-12-.
What are the key properties of (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine?
(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine has a molecular weight of 289.37 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine is sourced from PubChem (CID 146561503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).