(Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine

C11H22FN — CID 167199888

IUPAC(Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine
SMILESCC(C)CNC/C=C\CC(C)(C)F
InChIInChI=1S/C11H22FN/c1-10(2)9-13-8-6-5-7-11(3,4)12/h5-6,10,13H,7-9H2,1-4H3/b6-5-
InChIKeyACERLEWQDQIGNS-WAYWQWQTSA-N
MW187.30 g/mol
LogP2.93
Rot. Bonds6

About (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine

(Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine (PubChem CID 167199888) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine
PubChem CID167199888
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine
SMILESCC(C)CNC/C=C\CC(C)(C)F
InChIInChI=1S/C11H22FN/c1-10(2)9-13-8-6-5-7-11(3,4)12/h5-6,10,13H,7-9H2,1-4H3/b6-5-
InChIKeyACERLEWQDQIGNS-WAYWQWQTSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine?
The IUPAC name of (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine (CID 167199888) is (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine.
What is the SMILES notation for (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine?
The canonical SMILES for (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine is CC(C)CNC/C=C\CC(C)(C)F.
What is the InChIKey of (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine?
The InChIKey is ACERLEWQDQIGNS-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2)9-13-8-6-5-7-11(3,4)12/h5-6,10,13H,7-9H2,1-4H3/b6-5-.
What are the key properties of (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine?
(Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-fluoro-5-methyl-N-(2-methylpropyl)hex-2-en-1-amine is sourced from PubChem (CID 167199888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).