N-(5,5,5-trifluoropentyl)azepan-4-amine

C11H21F3N2 — CID 103982687

IUPACN-(5,5,5-trifluoropentyl)azepan-4-amine
SMILESFC(F)(F)CCCCNC1CCCNCC1
InChIInChI=1S/C11H21F3N2/c12-11(13,14)6-1-2-8-16-10-4-3-7-15-9-5-10/h10,15-16H,1-9H2
InChIKeyDNUKXGAKWNYMBX-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.45
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)azepan-4-amine

N-(5,5,5-trifluoropentyl)azepan-4-amine (PubChem CID 103982687) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)azepan-4-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)azepan-4-amine
PubChem CID103982687
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC NameN-(5,5,5-trifluoropentyl)azepan-4-amine
SMILESFC(F)(F)CCCCNC1CCCNCC1
InChIInChI=1S/C11H21F3N2/c12-11(13,14)6-1-2-8-16-10-4-3-7-15-9-5-10/h10,15-16H,1-9H2
InChIKeyDNUKXGAKWNYMBX-UHFFFAOYSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-(5,5,5-trifluoropentyl)azepan-4-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)azepan-4-amine (CID 103982687) is N-(5,5,5-trifluoropentyl)azepan-4-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)azepan-4-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)azepan-4-amine is FC(F)(F)CCCCNC1CCCNCC1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)azepan-4-amine?
The InChIKey is DNUKXGAKWNYMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c12-11(13,14)6-1-2-8-16-10-4-3-7-15-9-5-10/h10,15-16H,1-9H2.
What are the key properties of N-(5,5,5-trifluoropentyl)azepan-4-amine?
N-(5,5,5-trifluoropentyl)azepan-4-amine has a molecular weight of 238.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)azepan-4-amine is sourced from PubChem (CID 103982687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).