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

C10H20FN — CID 134409229

IUPAC(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine
SMILESCC/C=C(/C)C(F)NCC(C)C
InChIInChI=1S/C10H20FN/c1-5-6-9(4)10(11)12-7-8(2)3/h6,8,10,12H,5,7H2,1-4H3/b9-6-
InChIKeyRJYKJHWUMIZLCC-TWGQIWQCSA-N
MW173.27 g/mol
LogP2.88
Rot. Bonds5

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

(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine (PubChem CID 134409229) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine
PubChem CID134409229
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine
SMILESCC/C=C(/C)C(F)NCC(C)C
InChIInChI=1S/C10H20FN/c1-5-6-9(4)10(11)12-7-8(2)3/h6,8,10,12H,5,7H2,1-4H3/b9-6-
InChIKeyRJYKJHWUMIZLCC-TWGQIWQCSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine?
The IUPAC name of (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine (CID 134409229) is (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine.
What is the SMILES notation for (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine?
The canonical SMILES for (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine is CC/C=C(/C)C(F)NCC(C)C.
What is the InChIKey of (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine?
The InChIKey is RJYKJHWUMIZLCC-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H20FN/c1-5-6-9(4)10(11)12-7-8(2)3/h6,8,10,12H,5,7H2,1-4H3/b9-6-.
What are the key properties of (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine?
(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine has a molecular weight of 173.27 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine is sourced from PubChem (CID 134409229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).