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

C9H18FN — CID 130461562

IUPAC(4-fluoro-2,4-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)(F)CCC1CN
InChIInChI=1S/C9H18FN/c1-7-5-9(2,10)4-3-8(7)6-11/h7-8H,3-6,11H2,1-2H3
InChIKeyQQBXYWFJOXJZIZ-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.11
Rot. Bonds1

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

(4-fluoro-2,4-dimethylcyclohexyl)methanamine (PubChem CID 130461562) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (4-fluoro-2,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-fluoro-2,4-dimethylcyclohexyl)methanamine
PubChem CID130461562
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(4-fluoro-2,4-dimethylcyclohexyl)methanamine
SMILESCC1CC(C)(F)CCC1CN
InChIInChI=1S/C9H18FN/c1-7-5-9(2,10)4-3-8(7)6-11/h7-8H,3-6,11H2,1-2H3
InChIKeyQQBXYWFJOXJZIZ-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-fluoro-2,4-dimethylcyclohexyl)methanamine (CID 130461562) is (4-fluoro-2,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-fluoro-2,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-fluoro-2,4-dimethylcyclohexyl)methanamine is CC1CC(C)(F)CCC1CN.
What is the InChIKey of (4-fluoro-2,4-dimethylcyclohexyl)methanamine?
The InChIKey is QQBXYWFJOXJZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7-5-9(2,10)4-3-8(7)6-11/h7-8H,3-6,11H2,1-2H3.
What are the key properties of (4-fluoro-2,4-dimethylcyclohexyl)methanamine?
(4-fluoro-2,4-dimethylcyclohexyl)methanamine has a molecular weight of 159.25 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 130461562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).