1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine

C9H18FN — CID 131212064

IUPAC1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine
SMILESCC(NCCF)C1CC1(C)C
InChIInChI=1S/C9H18FN/c1-7(11-5-4-10)8-6-9(8,2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyIYYYLYOWFVLOED-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.98
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine

1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine (PubChem CID 131212064) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine
PubChem CID131212064
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine
SMILESCC(NCCF)C1CC1(C)C
InChIInChI=1S/C9H18FN/c1-7(11-5-4-10)8-6-9(8,2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyIYYYLYOWFVLOED-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine (CID 131212064) is 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine is CC(NCCF)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine?
The InChIKey is IYYYLYOWFVLOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(11-5-4-10)8-6-9(8,2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine?
1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine has a molecular weight of 159.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-N-(2-fluoroethyl)ethanamine is sourced from PubChem (CID 131212064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).