(5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine

C15H28FN — CID 155238128

IUPAC(5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine
SMILESC=C(C)/C=C/C(F)(CC)CCCNC(C)(C)C
InChIInChI=1S/C15H28FN/c1-7-15(16,11-9-13(2)3)10-8-12-17-14(4,5)6/h9,11,17H,2,7-8,10,12H2,1,3-6H3/b11-9+
InChIKeyGAZABQAYVDYTOI-PKNBQFBNSA-N
MW241.39 g/mol
LogP4.41
Rot. Bonds7

About (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine

(5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine (PubChem CID 155238128) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine.

Molecular Properties

Compound Name(5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine
PubChem CID155238128
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name(5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine
SMILESC=C(C)/C=C/C(F)(CC)CCCNC(C)(C)C
InChIInChI=1S/C15H28FN/c1-7-15(16,11-9-13(2)3)10-8-12-17-14(4,5)6/h9,11,17H,2,7-8,10,12H2,1,3-6H3/b11-9+
InChIKeyGAZABQAYVDYTOI-PKNBQFBNSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine?
The IUPAC name of (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine (CID 155238128) is (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine.
What is the SMILES notation for (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine?
The canonical SMILES for (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine is C=C(C)/C=C/C(F)(CC)CCCNC(C)(C)C.
What is the InChIKey of (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine?
The InChIKey is GAZABQAYVDYTOI-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H28FN/c1-7-15(16,11-9-13(2)3)10-8-12-17-14(4,5)6/h9,11,17H,2,7-8,10,12H2,1,3-6H3/b11-9+.
What are the key properties of (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine?
(5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine has a molecular weight of 241.39 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-tert-butyl-4-ethyl-4-fluoro-7-methylocta-5,7-dien-1-amine is sourced from PubChem (CID 155238128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).