(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine

C10H20FN — CID 139376285

IUPAC(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine
SMILESC/C=C/C(F)C(CCC)CNC
InChIInChI=1S/C10H20FN/c1-4-6-9(8-12-3)10(11)7-5-2/h5,7,9-10,12H,4,6,8H2,1-3H3/b7-5+
InChIKeyCFOHFPQNDCKQSE-FNORWQNLSA-N
MW173.27 g/mol
LogP2.54
Rot. Bonds6

About (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine

(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine (PubChem CID 139376285) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine
PubChem CID139376285
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine
SMILESC/C=C/C(F)C(CCC)CNC
InChIInChI=1S/C10H20FN/c1-4-6-9(8-12-3)10(11)7-5-2/h5,7,9-10,12H,4,6,8H2,1-3H3/b7-5+
InChIKeyCFOHFPQNDCKQSE-FNORWQNLSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine?
The IUPAC name of (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine (CID 139376285) is (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine?
The canonical SMILES for (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine is C/C=C/C(F)C(CCC)CNC.
What is the InChIKey of (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine?
The InChIKey is CFOHFPQNDCKQSE-FNORWQNLSA-N. The full InChI is InChI=1S/C10H20FN/c1-4-6-9(8-12-3)10(11)7-5-2/h5,7,9-10,12H,4,6,8H2,1-3H3/b7-5+.
What are the key properties of (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine?
(E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine has a molecular weight of 173.27 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-N-methyl-2-propylhex-4-en-1-amine is sourced from PubChem (CID 139376285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).