N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine

C9H18FN — CID 134466170

IUPACN-[(1-fluorocyclopentyl)methyl]-N-methylethanamine
SMILESCCN(C)CC1(F)CCCC1
InChIInChI=1S/C9H18FN/c1-3-11(2)8-9(10)6-4-5-7-9/h3-8H2,1-2H3
InChIKeyCAQBSVZVCSJJPK-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.22
Rot. Bonds3

About N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine

N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine (PubChem CID 134466170) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(1-fluorocyclopentyl)methyl]-N-methylethanamine
PubChem CID134466170
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-[(1-fluorocyclopentyl)methyl]-N-methylethanamine
SMILESCCN(C)CC1(F)CCCC1
InChIInChI=1S/C9H18FN/c1-3-11(2)8-9(10)6-4-5-7-9/h3-8H2,1-2H3
InChIKeyCAQBSVZVCSJJPK-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine?
The IUPAC name of N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine (CID 134466170) is N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine is CCN(C)CC1(F)CCCC1.
What is the InChIKey of N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine?
The InChIKey is CAQBSVZVCSJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-3-11(2)8-9(10)6-4-5-7-9/h3-8H2,1-2H3.
What are the key properties of N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine?
N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine has a molecular weight of 159.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclopentyl)methyl]-N-methylethanamine is sourced from PubChem (CID 134466170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).