N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide

C11H19F3N2O — CID 43136818

IUPACN-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
SMILESNCCCN(C(=O)CC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-10(17)16(7-3-6-15)9-4-1-2-5-9/h9H,1-8,15H2
InChIKeyMDCZUDZIINARSH-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.06
Rot. Bonds5

About N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide

N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide (PubChem CID 43136818) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
PubChem CID43136818
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide
SMILESNCCCN(C(=O)CC(F)(F)F)C1CCCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-10(17)16(7-3-6-15)9-4-1-2-5-9/h9H,1-8,15H2
InChIKeyMDCZUDZIINARSH-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide (CID 43136818) is N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide is NCCCN(C(=O)CC(F)(F)F)C1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
The InChIKey is MDCZUDZIINARSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-10(17)16(7-3-6-15)9-4-1-2-5-9/h9H,1-8,15H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide?
N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide has a molecular weight of 252.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-3,3,3-trifluoropropanamide is sourced from PubChem (CID 43136818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).