3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine

C15H21F3N2 — CID 102708933

IUPAC3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-3-7-20-11-4-6-14(2,9-11)13-10-19-8-5-12(13)15(16,17)18/h5,8,10-11,20H,3-4,6-7,9H2,1-2H3
InChIKeyTVGCDPCRRUDAHE-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.91
Rot. Bonds4

About 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine

3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine (PubChem CID 102708933) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
PubChem CID102708933
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-3-7-20-11-4-6-14(2,9-11)13-10-19-8-5-12(13)15(16,17)18/h5,8,10-11,20H,3-4,6-7,9H2,1-2H3
InChIKeyTVGCDPCRRUDAHE-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-[1-methyl-3-(propylamino)cyclopentyl]pyridin-2-amine
CID 116539727
N-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708824
3-(1-benzothiophen-7-yl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539698
3-(3-ethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539851
2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707348
N-ethyl-3-isoquinolin-4-yl-3-methylcyclopentan-1-amine
CID 116539436
3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539814
3-methyl-3-[3-(2-methylpropyl)phenyl]-N-propylcyclopentan-1-amine
CID 116545842
1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine
CID 112706938
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
N-ethyl-3-methyl-3-(2-methylthiophen-3-yl)cyclopentan-1-amine
CID 102837866
4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707349

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine (CID 102708933) is 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine is CCCNC1CCC(C)(c2cnccc2C(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine?
The InChIKey is TVGCDPCRRUDAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-3-7-20-11-4-6-14(2,9-11)13-10-19-8-5-12(13)15(16,17)18/h5,8,10-11,20H,3-4,6-7,9H2,1-2H3.
What are the key properties of 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine?
3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine has a molecular weight of 286.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine is sourced from PubChem (CID 102708933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).