[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

C15H25F3N2 — CID 115559280

IUPAC[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CC3CCCC3C2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)13-5-2-6-14(7-13,10-19)20-8-11-3-1-4-12(11)9-20/h11-13H,1-10,19H2
InChIKeyFZIRDXALDLSUJK-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.17
Rot. Bonds2

About [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine

[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 115559280) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID115559280
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1(N2CC3CCCC3C2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2/c16-15(17,18)13-5-2-6-14(7-13,10-19)20-8-11-3-1-4-12(11)9-20/h11-13H,1-10,19H2
InChIKeyFZIRDXALDLSUJK-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine with MolForge

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Related Compounds

[1-(azocan-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757802
[1-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64759439
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopropyl]methanamine
CID 106661339
[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64758210
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)thian-4-yl]methanamine
CID 115559326
[3-cyclopropyl-1-(3,4-dimethylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 79188405
cis-(1R,3R)-1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 95278571
1-(aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol;hydrochloride
CID 75481559
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
N-[1-(aminomethyl)-3-(trifluoromethyl)cyclohexyl]-2,6-dimethylpiperidin-1-amine
CID 83011418
[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755486

Frequently Asked Questions

What is the IUPAC name of [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine (CID 115559280) is [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is NCC1(N2CC3CCCC3C2)CCCC(C(F)(F)F)C1.
What is the InChIKey of [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is FZIRDXALDLSUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c16-15(17,18)13-5-2-6-14(7-13,10-19)20-8-11-3-1-4-12(11)9-20/h11-13H,1-10,19H2.
What are the key properties of [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine?
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 290.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 115559280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).