N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine

C13H26FN — CID 165128366

IUPACN-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine
SMILESCCC(C)N(CC)CC1CCC(C)(F)C1
InChIInChI=1S/C13H26FN/c1-5-11(3)15(6-2)10-12-7-8-13(4,14)9-12/h11-12H,5-10H2,1-4H3
InChIKeyXTNSXMQTVGJOBV-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.64
Rot. Bonds5

About N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine

N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine (PubChem CID 165128366) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine
PubChem CID165128366
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC NameN-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine
SMILESCCC(C)N(CC)CC1CCC(C)(F)C1
InChIInChI=1S/C13H26FN/c1-5-11(3)15(6-2)10-12-7-8-13(4,14)9-12/h11-12H,5-10H2,1-4H3
InChIKeyXTNSXMQTVGJOBV-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine?
The IUPAC name of N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine (CID 165128366) is N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine.
What is the SMILES notation for N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine?
The canonical SMILES for N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine is CCC(C)N(CC)CC1CCC(C)(F)C1.
What is the InChIKey of N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine?
The InChIKey is XTNSXMQTVGJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-5-11(3)15(6-2)10-12-7-8-13(4,14)9-12/h11-12H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine?
N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine has a molecular weight of 215.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluoro-3-methylcyclopentyl)methyl]butan-2-amine is sourced from PubChem (CID 165128366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).