1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine

C20H27F3N2 — CID 69471070

IUPAC1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1cccc(CNCC2C3CN(CC4CCCC4)CC23)c1
InChIInChI=1S/C20H27F3N2/c21-20(22,23)16-7-3-6-15(8-16)9-24-10-17-18-12-25(13-19(17)18)11-14-4-1-2-5-14/h3,6-8,14,17-19,24H,1-2,4-5,9-13H2
InChIKeyUGKOKRCOLFEUCM-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.16
Rot. Bonds6

About 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine

1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 69471070) has the molecular formula C20H27F3N2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID69471070
Molecular FormulaC20H27F3N2
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1cccc(CNCC2C3CN(CC4CCCC4)CC23)c1
InChIInChI=1S/C20H27F3N2/c21-20(22,23)16-7-3-6-15(8-16)9-24-10-17-18-12-25(13-19(17)18)11-14-4-1-2-5-14/h3,6-8,14,17-19,24H,1-2,4-5,9-13H2
InChIKeyUGKOKRCOLFEUCM-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine with MolForge

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Related Compounds

1-[3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 68777875
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethyl)benzamide
CID 69471068
1-[3-(1-methylazetidin-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 68780309
1-[3-(azetidin-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 68784920
1-(1,4-dimethylpiperazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63896516
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
1-[3-(cyclopropylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine;1,3-thiazole-4-carboxylic acid
CID 162621716
(1-methylimidazol-4-yl) N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 90353603
4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962314
1-(2-bicyclo[2.2.1]heptanyl)-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
CID 63688120
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
1-[3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 69470902

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (CID 69471070) is 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1cccc(CNCC2C3CN(CC4CCCC4)CC23)c1.
What is the InChIKey of 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is UGKOKRCOLFEUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2/c21-20(22,23)16-7-3-6-15(8-16)9-24-10-17-18-12-25(13-19(17)18)11-14-4-1-2-5-14/h3,6-8,14,17-19,24H,1-2,4-5,9-13H2.
What are the key properties of 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 352.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 69471070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).