N-(3,3,3-trifluoropropyl)azepan-4-amine

C9H17F3N2 — CID 84677696

IUPACN-(3,3,3-trifluoropropyl)azepan-4-amine
SMILESFC(F)(F)CCNC1CCCNCC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)4-7-14-8-2-1-5-13-6-3-8/h8,13-14H,1-7H2
InChIKeyDAMPRBBWALMNLP-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.67
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)azepan-4-amine

N-(3,3,3-trifluoropropyl)azepan-4-amine (PubChem CID 84677696) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)azepan-4-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)azepan-4-amine
PubChem CID84677696
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-(3,3,3-trifluoropropyl)azepan-4-amine
SMILESFC(F)(F)CCNC1CCCNCC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)4-7-14-8-2-1-5-13-6-3-8/h8,13-14H,1-7H2
InChIKeyDAMPRBBWALMNLP-UHFFFAOYSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-(3,3,3-trifluoropropyl)azepan-4-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)azepan-4-amine (CID 84677696) is N-(3,3,3-trifluoropropyl)azepan-4-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)azepan-4-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)azepan-4-amine is FC(F)(F)CCNC1CCCNCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)azepan-4-amine?
The InChIKey is DAMPRBBWALMNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c10-9(11,12)4-7-14-8-2-1-5-13-6-3-8/h8,13-14H,1-7H2.
What are the key properties of N-(3,3,3-trifluoropropyl)azepan-4-amine?
N-(3,3,3-trifluoropropyl)azepan-4-amine has a molecular weight of 210.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)azepan-4-amine is sourced from PubChem (CID 84677696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).