4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine

C18H35FN2 — CID 166951883

IUPAC4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine
SMILESCCC(C(C)/C=C\CF)N1CC(C)(C(C)CCCNC)C1
InChIInChI=1S/C18H35FN2/c1-6-17(15(2)9-7-11-19)21-13-18(4,14-21)16(3)10-8-12-20-5/h7,9,15-17,20H,6,8,10-14H2,1-5H3/b9-7-
InChIKeyLFCHEEUYJKGKMZ-CLFYSBASSA-N
MW298.49 g/mol
LogP3.88
Rot. Bonds10

About 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine

4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine (PubChem CID 166951883) has the molecular formula C18H35FN2 and a molecular weight of 298.49 g/mol. Its IUPAC name is 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine
PubChem CID166951883
Molecular FormulaC18H35FN2
Molecular Weight298.49 g/mol
Exact Mass298.28
IUPAC Name4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine
SMILESCCC(C(C)/C=C\CF)N1CC(C)(C(C)CCCNC)C1
InChIInChI=1S/C18H35FN2/c1-6-17(15(2)9-7-11-19)21-13-18(4,14-21)16(3)10-8-12-20-5/h7,9,15-17,20H,6,8,10-14H2,1-5H3/b9-7-
InChIKeyLFCHEEUYJKGKMZ-CLFYSBASSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine?
The IUPAC name of 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine (CID 166951883) is 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine.
What is the SMILES notation for 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine?
The canonical SMILES for 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine is CCC(C(C)/C=C\CF)N1CC(C)(C(C)CCCNC)C1.
What is the InChIKey of 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine?
The InChIKey is LFCHEEUYJKGKMZ-CLFYSBASSA-N. The full InChI is InChI=1S/C18H35FN2/c1-6-17(15(2)9-7-11-19)21-13-18(4,14-21)16(3)10-8-12-20-5/h7,9,15-17,20H,6,8,10-14H2,1-5H3/b9-7-.
What are the key properties of 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine?
4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine has a molecular weight of 298.49 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(Z)-7-fluoro-4-methylhept-5-en-3-yl]-3-methylazetidin-3-yl]-N-methylpentan-1-amine is sourced from PubChem (CID 166951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).