(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine

C11H20FNO — CID 145312229

IUPAC(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
SMILESC=CC(NC)C(/C=C(\C)F)OC(C)C
InChIInChI=1S/C11H20FNO/c1-6-10(13-5)11(7-9(4)12)14-8(2)3/h6-8,10-11,13H,1H2,2-5H3/b9-7+
InChIKeyGTXATBWJAWAKNU-VQHVLOKHSA-N
MW201.28 g/mol
LogP2.43
Rot. Bonds6

About (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine

(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine (PubChem CID 145312229) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
PubChem CID145312229
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
SMILESC=CC(NC)C(/C=C(\C)F)OC(C)C
InChIInChI=1S/C11H20FNO/c1-6-10(13-5)11(7-9(4)12)14-8(2)3/h6-8,10-11,13H,1H2,2-5H3/b9-7+
InChIKeyGTXATBWJAWAKNU-VQHVLOKHSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-difluoropent-2-enoxy)-N-methylpropan-1-amine
CID 91089788
N-methyl-6-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 124032128
N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine
CID 139410249
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
4-Fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine
CID 145312380
3-Propan-2-yloxy-1,2,3,6-tetrahydropyridine
CID 57751839
(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
CID 58730214
(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine
CID 58730223
N,6-dimethyl-3,6-dihydro-2H-pyran-3-amine
CID 59398020
N-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N'-ethyl-N'-methylpropane-1,3-diamine
CID 90861531
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]propane-1,3-diamine
CID 90894278
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 91094343

Frequently Asked Questions

What is the IUPAC name of (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine?
The IUPAC name of (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine (CID 145312229) is (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine.
What is the SMILES notation for (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine?
The canonical SMILES for (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine is C=CC(NC)C(/C=C(\C)F)OC(C)C.
What is the InChIKey of (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine?
The InChIKey is GTXATBWJAWAKNU-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H20FNO/c1-6-10(13-5)11(7-9(4)12)14-8(2)3/h6-8,10-11,13H,1H2,2-5H3/b9-7+.
What are the key properties of (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine?
(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine has a molecular weight of 201.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine is sourced from PubChem (CID 145312229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).