(4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine

C15H25F2N — CID 167083099

IUPAC(4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine
SMILESC=C(C)/C(=C\C=C(/C(C)CC)N(C)C)C(C)(F)F
InChIInChI=1S/C15H25F2N/c1-8-12(4)14(18(6)7)10-9-13(11(2)3)15(5,16)17/h9-10,12H,2,8H2,1,3-7H3/b13-9+,14-10+
InChIKeyPGXGVHYIAOQMEE-UTLPMFLDSA-N
MW257.37 g/mol
LogP4.64
Rot. Bonds6

About (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine

(4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine (PubChem CID 167083099) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine.

Molecular Properties

Compound Name(4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine
PubChem CID167083099
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine
SMILESC=C(C)/C(=C\C=C(/C(C)CC)N(C)C)C(C)(F)F
InChIInChI=1S/C15H25F2N/c1-8-12(4)14(18(6)7)10-9-13(11(2)3)15(5,16)17/h9-10,12H,2,8H2,1,3-7H3/b13-9+,14-10+
InChIKeyPGXGVHYIAOQMEE-UTLPMFLDSA-N
XLogP4.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine?
The IUPAC name of (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine (CID 167083099) is (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine.
What is the SMILES notation for (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine?
The canonical SMILES for (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine is C=C(C)/C(=C\C=C(/C(C)CC)N(C)C)C(C)(F)F.
What is the InChIKey of (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine?
The InChIKey is PGXGVHYIAOQMEE-UTLPMFLDSA-N. The full InChI is InChI=1S/C15H25F2N/c1-8-12(4)14(18(6)7)10-9-13(11(2)3)15(5,16)17/h9-10,12H,2,8H2,1,3-7H3/b13-9+,14-10+.
What are the key properties of (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine?
(4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine has a molecular weight of 257.37 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-7-(1,1-difluoroethyl)-N,N,3,8-tetramethylnona-4,6,8-trien-4-amine is sourced from PubChem (CID 167083099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).