(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine

C9H20FN — CID 176737722

IUPAC(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine
SMILESCNCC[C@H](F)CC(C)(C)C
InChIInChI=1S/C9H20FN/c1-9(2,3)7-8(10)5-6-11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPTZIPZSRQDYMCR-QMMMGPOBSA-N
MW161.26 g/mol
LogP2.37
Rot. Bonds4

About (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine

(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine (PubChem CID 176737722) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine
PubChem CID176737722
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Name(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine
SMILESCNCC[C@H](F)CC(C)(C)C
InChIInChI=1S/C9H20FN/c1-9(2,3)7-8(10)5-6-11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyPTZIPZSRQDYMCR-QMMMGPOBSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-3-fluoro-N,5,5-trimethylhexan-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 (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine?
The IUPAC name of (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine (CID 176737722) is (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine.
What is the SMILES notation for (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine?
The canonical SMILES for (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine is CNCC[C@H](F)CC(C)(C)C.
What is the InChIKey of (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine?
The InChIKey is PTZIPZSRQDYMCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20FN/c1-9(2,3)7-8(10)5-6-11-4/h8,11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine?
(3R)-3-fluoro-N,5,5-trimethylhexan-1-amine has a molecular weight of 161.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-N,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 176737722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).