(Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine

C14H28FN — CID 139323775

IUPAC(Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine
SMILESCC(C)CC(/C=C\C[C@@H](C)F)C(C)(C)CN
InChIInChI=1S/C14H28FN/c1-11(2)9-13(14(4,5)10-16)8-6-7-12(3)15/h6,8,11-13H,7,9-10,16H2,1-5H3/b8-6-/t12-,13?/m1/s1
InChIKeyKQZBORSYOGTAFP-BWDZVORVSA-N
MW229.38 g/mol
LogP3.94
Rot. Bonds7

About (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine

(Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine (PubChem CID 139323775) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine.

Molecular Properties

Compound Name(Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine
PubChem CID139323775
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC Name(Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine
SMILESCC(C)CC(/C=C\C[C@@H](C)F)C(C)(C)CN
InChIInChI=1S/C14H28FN/c1-11(2)9-13(14(4,5)10-16)8-6-7-12(3)15/h6,8,11-13H,7,9-10,16H2,1-5H3/b8-6-/t12-,13?/m1/s1
InChIKeyKQZBORSYOGTAFP-BWDZVORVSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine?
The IUPAC name of (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine (CID 139323775) is (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine.
What is the SMILES notation for (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine?
The canonical SMILES for (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine is CC(C)CC(/C=C\C[C@@H](C)F)C(C)(C)CN.
What is the InChIKey of (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine?
The InChIKey is KQZBORSYOGTAFP-BWDZVORVSA-N. The full InChI is InChI=1S/C14H28FN/c1-11(2)9-13(14(4,5)10-16)8-6-7-12(3)15/h6,8,11-13H,7,9-10,16H2,1-5H3/b8-6-/t12-,13?/m1/s1.
What are the key properties of (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine?
(Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine has a molecular weight of 229.38 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7R)-7-fluoro-2,2-dimethyl-3-(2-methylpropyl)oct-4-en-1-amine is sourced from PubChem (CID 139323775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).