2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine

C15H29F3N2 — CID 79855341

IUPAC2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN(C)CCC(F)(F)F)CCC1(C)C
InChIInChI=1S/C15H29F3N2/c1-5-9-19-13-12(6-7-14(13,2)3)11-20(4)10-8-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyLHHPOCSBLRNUEB-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.67
Rot. Bonds7

About 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine

2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine (PubChem CID 79855341) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine
PubChem CID79855341
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN(C)CCC(F)(F)F)CCC1(C)C
InChIInChI=1S/C15H29F3N2/c1-5-9-19-13-12(6-7-14(13,2)3)11-20(4)10-8-15(16,17)18/h12-13,19H,5-11H2,1-4H3
InChIKeyLHHPOCSBLRNUEB-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine (CID 79855341) is 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine is CCCNC1C(CN(C)CCC(F)(F)F)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine?
The InChIKey is LHHPOCSBLRNUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-5-9-19-13-12(6-7-14(13,2)3)11-20(4)10-8-15(16,17)18/h12-13,19H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79855341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).