(4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine

C15H25F2N — CID 142950915

IUPAC(4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(F)/C=C(/F)C(=C)C(C)CN(CC)C(C)(C)C
InChIInChI=1S/C15H25F2N/c1-8-18(15(5,6)7)10-11(2)13(4)14(17)9-12(3)16/h9,11H,3-4,8,10H2,1-2,5-7H3/b14-9+
InChIKeyKGZWYXSQQAYUTF-NTEUORMPSA-N
MW257.37 g/mol
LogP4.64
Rot. Bonds6

About (4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine

(4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine (PubChem CID 142950915) has the molecular formula C15H25F2N and a molecular weight of 257.37 g/mol. Its IUPAC name is (4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine
PubChem CID142950915
Molecular FormulaC15H25F2N
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(F)/C=C(/F)C(=C)C(C)CN(CC)C(C)(C)C
InChIInChI=1S/C15H25F2N/c1-8-18(15(5,6)7)10-11(2)13(4)14(17)9-12(3)16/h9,11H,3-4,8,10H2,1-2,5-7H3/b14-9+
InChIKeyKGZWYXSQQAYUTF-NTEUORMPSA-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)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine?
The IUPAC name of (4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine (CID 142950915) is (4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine is C=C(F)/C=C(/F)C(=C)C(C)CN(CC)C(C)(C)C.
What is the InChIKey of (4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine?
The InChIKey is KGZWYXSQQAYUTF-NTEUORMPSA-N. The full InChI is InChI=1S/C15H25F2N/c1-8-18(15(5,6)7)10-11(2)13(4)14(17)9-12(3)16/h9,11H,3-4,8,10H2,1-2,5-7H3/b14-9+.
What are the key properties of (4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine?
(4E)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-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)-N-tert-butyl-N-ethyl-4,6-difluoro-2-methyl-3-methylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 142950915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).