(5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine

C11H22FN — CID 89347360

IUPAC(5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine
SMILESCCC1(F)CC(C)C(C)C(CN)C1
InChIInChI=1S/C11H22FN/c1-4-11(12)5-8(2)9(3)10(6-11)7-13/h8-10H,4-7,13H2,1-3H3
InChIKeyBXKVWOLAJBKANC-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.75
Rot. Bonds2

About (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine

(5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine (PubChem CID 89347360) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine
PubChem CID89347360
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name(5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine
SMILESCCC1(F)CC(C)C(C)C(CN)C1
InChIInChI=1S/C11H22FN/c1-4-11(12)5-8(2)9(3)10(6-11)7-13/h8-10H,4-7,13H2,1-3H3
InChIKeyBXKVWOLAJBKANC-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine?
The IUPAC name of (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine (CID 89347360) is (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine?
The canonical SMILES for (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine is CCC1(F)CC(C)C(C)C(CN)C1.
What is the InChIKey of (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine?
The InChIKey is BXKVWOLAJBKANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-4-11(12)5-8(2)9(3)10(6-11)7-13/h8-10H,4-7,13H2,1-3H3.
What are the key properties of (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine?
(5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine has a molecular weight of 187.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-5-fluoro-2,3-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 89347360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).