N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine

C11H22FN — CID 14530957

IUPACN-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine
SMILESCN(CC(C)(C)F)C1CCCCC1
InChIInChI=1S/C11H22FN/c1-11(2,12)9-13(3)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyJEQSXQBJTLHQNW-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.00
Rot. Bonds3

About N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine

N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine (PubChem CID 14530957) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine
PubChem CID14530957
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC NameN-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine
SMILESCN(CC(C)(C)F)C1CCCCC1
InChIInChI=1S/C11H22FN/c1-11(2,12)9-13(3)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3
InChIKeyJEQSXQBJTLHQNW-UHFFFAOYSA-N
XLogP3.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine 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 N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine (CID 14530957) is N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine is CN(CC(C)(C)F)C1CCCCC1.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine?
The InChIKey is JEQSXQBJTLHQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-11(2,12)9-13(3)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine?
N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine has a molecular weight of 187.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine is sourced from PubChem (CID 14530957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).