N-(4,4,4-trifluorobutyl)azepan-4-amine

C10H19F3N2 — CID 103982684

IUPACN-(4,4,4-trifluorobutyl)azepan-4-amine
SMILESFC(F)(F)CCCNC1CCCNCC1
InChIInChI=1S/C10H19F3N2/c11-10(12,13)5-2-7-15-9-3-1-6-14-8-4-9/h9,14-15H,1-8H2
InChIKeyJTRNGXPKJGDGSU-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.06
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)azepan-4-amine

N-(4,4,4-trifluorobutyl)azepan-4-amine (PubChem CID 103982684) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)azepan-4-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)azepan-4-amine
PubChem CID103982684
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-(4,4,4-trifluorobutyl)azepan-4-amine
SMILESFC(F)(F)CCCNC1CCCNCC1
InChIInChI=1S/C10H19F3N2/c11-10(12,13)5-2-7-15-9-3-1-6-14-8-4-9/h9,14-15H,1-8H2
InChIKeyJTRNGXPKJGDGSU-UHFFFAOYSA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4,4,4-trifluorobutyl)azepan-4-amine 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,N-dimethylazepan-4-amine
CID 56698912
2-(Trifluoromethyl)azepane hydrochloride
CID 132300803
(Hexan-2-yl)(2,2,2-trifluoroethyl)amine
CID 43755070
2-(Trifluoromethyl)azepane
CID 50989379
N-ethyl-1,1,1-trifluorohexan-2-amine
CID 66206786
N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343735
1-N-methyl-1-N-(2,2,2-trifluoroethyl)hexane-1,3-diamine
CID 81978649
N-(2,2-difluoroethyl)azepan-4-amine
CID 84656479
4-Fluoro-1-piperidin-4-ylazepane
CID 115022038
N1-(2,2-Difluoroethyl)-1,3-cyclohexanediamine
CID 115406071
5,5-Difluoro-2-methylazepane
CID 122663292
4,4-Difluoro-2-methylazepane
CID 122663295

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)azepan-4-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)azepan-4-amine (CID 103982684) is N-(4,4,4-trifluorobutyl)azepan-4-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)azepan-4-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)azepan-4-amine is FC(F)(F)CCCNC1CCCNCC1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)azepan-4-amine?
The InChIKey is JTRNGXPKJGDGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c11-10(12,13)5-2-7-15-9-3-1-6-14-8-4-9/h9,14-15H,1-8H2.
What are the key properties of N-(4,4,4-trifluorobutyl)azepan-4-amine?
N-(4,4,4-trifluorobutyl)azepan-4-amine has a molecular weight of 224.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)azepan-4-amine is sourced from PubChem (CID 103982684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).