N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine

C13H24F3NO — CID 71122372

IUPACN-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine
SMILESCCOC(NC1CCCCCCCC1)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-2-18-12(13(14,15)16)17-11-9-7-5-3-4-6-8-10-11/h11-12,17H,2-10H2,1H3
InChIKeyNGTUOOMSRKWRBL-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.00
Rot. Bonds4

About N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine

N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine (PubChem CID 71122372) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine.

Molecular Properties

Compound NameN-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine
PubChem CID71122372
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine
SMILESCCOC(NC1CCCCCCCC1)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-2-18-12(13(14,15)16)17-11-9-7-5-3-4-6-8-10-11/h11-12,17H,2-10H2,1H3
InChIKeyNGTUOOMSRKWRBL-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethoxy-2,2,2-trifluoroethyl)cyclododecanamine
CID 71228220
N-(1-ethoxy-2,2,2-trifluoroethyl)pentan-1-amine
CID 87091770
N-[3-(2,2,2-trifluoroethoxy)propyl]octan-2-amine
CID 54961715
N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962287
N-[2-(2,2,2-trifluoroethoxy)ethyl]octan-2-amine
CID 61490683
N-[3-(2,2,2-trifluoroethoxy)propyl]hexan-2-amine
CID 62200027
N-[2-(2,2,2-trifluoroethoxy)ethyl]undecan-6-amine
CID 63826763
N-[2-(2,2,2-trifluoroethoxy)ethyl]nonan-2-amine
CID 63827475
N-[3-(2,2,2-trifluoroethoxy)propyl]decan-1-amine
CID 80198067
N-[2-(2,2-difluoroethoxy)ethyl]octan-2-amine
CID 103082740
N-[2-(2,2-difluoroethoxy)ethyl]nonan-2-amine
CID 103083063
N-[3-(2,2,2-trifluoroethoxy)propyl]octan-4-amine
CID 103777336

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine?
The IUPAC name of N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine (CID 71122372) is N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine.
What is the SMILES notation for N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine?
The canonical SMILES for N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine is CCOC(NC1CCCCCCCC1)C(F)(F)F.
What is the InChIKey of N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine?
The InChIKey is NGTUOOMSRKWRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-18-12(13(14,15)16)17-11-9-7-5-3-4-6-8-10-11/h11-12,17H,2-10H2,1H3.
What are the key properties of N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine?
N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine has a molecular weight of 267.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2,2,2-trifluoroethyl)cyclononanamine is sourced from PubChem (CID 71122372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).