N-(dicyclopropylmethyl)-2-fluoroethanamine

C9H16FN — CID 80602591

IUPACN-(dicyclopropylmethyl)-2-fluoroethanamine
SMILESFCCNC(C1CC1)C1CC1
InChIInChI=1S/C9H16FN/c10-5-6-11-9(7-1-2-7)8-3-4-8/h7-9,11H,1-6H2
InChIKeyQYULDMNUGAZTRU-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.73
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-fluoroethanamine

N-(dicyclopropylmethyl)-2-fluoroethanamine (PubChem CID 80602591) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-fluoroethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-fluoroethanamine
PubChem CID80602591
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC NameN-(dicyclopropylmethyl)-2-fluoroethanamine
SMILESFCCNC(C1CC1)C1CC1
InChIInChI=1S/C9H16FN/c10-5-6-11-9(7-1-2-7)8-3-4-8/h7-9,11H,1-6H2
InChIKeyQYULDMNUGAZTRU-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-fluoroethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-2-fluoroethanamine (CID 80602591) is N-(dicyclopropylmethyl)-2-fluoroethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-fluoroethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-fluoroethanamine is FCCNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-fluoroethanamine?
The InChIKey is QYULDMNUGAZTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c10-5-6-11-9(7-1-2-7)8-3-4-8/h7-9,11H,1-6H2.
What are the key properties of N-(dicyclopropylmethyl)-2-fluoroethanamine?
N-(dicyclopropylmethyl)-2-fluoroethanamine has a molecular weight of 157.23 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-fluoroethanamine is sourced from PubChem (CID 80602591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).