(2-fluoro-4,6-dimethylcyclohexyl)methanamine

C9H18FN — CID 155485381

IUPAC(2-fluoro-4,6-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)C(CN)C(F)C1
InChIInChI=1S/C9H18FN/c1-6-3-7(2)8(5-11)9(10)4-6/h6-9H,3-5,11H2,1-2H3
InChIKeyZAGIILGLUXBHPD-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.97
Rot. Bonds1

About (2-fluoro-4,6-dimethylcyclohexyl)methanamine

(2-fluoro-4,6-dimethylcyclohexyl)methanamine (PubChem CID 155485381) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylcyclohexyl)methanamine
PubChem CID155485381
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(2-fluoro-4,6-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)C(CN)C(F)C1
InChIInChI=1S/C9H18FN/c1-6-3-7(2)8(5-11)9(10)4-6/h6-9H,3-5,11H2,1-2H3
InChIKeyZAGIILGLUXBHPD-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylcyclohexyl)methanamine?
The IUPAC name of (2-fluoro-4,6-dimethylcyclohexyl)methanamine (CID 155485381) is (2-fluoro-4,6-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2-fluoro-4,6-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2-fluoro-4,6-dimethylcyclohexyl)methanamine is CC1CC(C)C(CN)C(F)C1.
What is the InChIKey of (2-fluoro-4,6-dimethylcyclohexyl)methanamine?
The InChIKey is ZAGIILGLUXBHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-6-3-7(2)8(5-11)9(10)4-6/h6-9H,3-5,11H2,1-2H3.
What are the key properties of (2-fluoro-4,6-dimethylcyclohexyl)methanamine?
(2-fluoro-4,6-dimethylcyclohexyl)methanamine has a molecular weight of 159.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 155485381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).