8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine

C15H29F3N2 — CID 91539789

IUPAC8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine
SMILESCC(CCCCCCCNCC(F)(F)F)N1CCCC1
InChIInChI=1S/C15H29F3N2/c1-14(20-11-7-8-12-20)9-5-3-2-4-6-10-19-13-15(16,17)18/h14,19H,2-13H2,1H3
InChIKeyVLOMHXQKZIEBLD-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.96
Rot. Bonds10

About 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine

8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine (PubChem CID 91539789) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine.

Molecular Properties

Compound Name8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine
PubChem CID91539789
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine
SMILESCC(CCCCCCCNCC(F)(F)F)N1CCCC1
InChIInChI=1S/C15H29F3N2/c1-14(20-11-7-8-12-20)9-5-3-2-4-6-10-19-13-15(16,17)18/h14,19H,2-13H2,1H3
InChIKeyVLOMHXQKZIEBLD-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine?
The IUPAC name of 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine (CID 91539789) is 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine.
What is the SMILES notation for 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine?
The canonical SMILES for 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine is CC(CCCCCCCNCC(F)(F)F)N1CCCC1.
What is the InChIKey of 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine?
The InChIKey is VLOMHXQKZIEBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-14(20-11-7-8-12-20)9-5-3-2-4-6-10-19-13-15(16,17)18/h14,19H,2-13H2,1H3.
What are the key properties of 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine?
8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)nonan-1-amine is sourced from PubChem (CID 91539789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).