(3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine

C10H20FN — CID 134437571

IUPAC(3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine
SMILESC=C[C@](C)(NCCCF)C(C)C
InChIInChI=1S/C10H20FN/c1-5-10(4,9(2)3)12-8-6-7-11/h5,9,12H,1,6-8H2,2-4H3/t10-/m0/s1
InChIKeyMCOLWOINJRZYGP-JTQLQIEISA-N
MW173.27 g/mol
LogP2.54
Rot. Bonds6

About (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine

(3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine (PubChem CID 134437571) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine.

Molecular Properties

Compound Name(3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine
PubChem CID134437571
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine
SMILESC=C[C@](C)(NCCCF)C(C)C
InChIInChI=1S/C10H20FN/c1-5-10(4,9(2)3)12-8-6-7-11/h5,9,12H,1,6-8H2,2-4H3/t10-/m0/s1
InChIKeyMCOLWOINJRZYGP-JTQLQIEISA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-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 (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine?
The IUPAC name of (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine (CID 134437571) is (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine.
What is the SMILES notation for (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine?
The canonical SMILES for (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine is C=C[C@](C)(NCCCF)C(C)C.
What is the InChIKey of (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine?
The InChIKey is MCOLWOINJRZYGP-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20FN/c1-5-10(4,9(2)3)12-8-6-7-11/h5,9,12H,1,6-8H2,2-4H3/t10-/m0/s1.
What are the key properties of (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine?
(3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-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 (3R)-N-(3-fluoropropyl)-3,4-dimethylpent-1-en-3-amine is sourced from PubChem (CID 134437571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).