cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine

C13H17F3N2 — CID 146194427

IUPACcis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine
SMILESCN(c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C13H17F3N2/c1-18(12-7-4-10(17)8-12)11-5-2-9(3-6-11)13(14,15)16/h2-3,5-6,10,12H,4,7-8,17H2,1H3/t10-,12+/m0/s1
InChIKeyDALHKSJGRLIWJW-CMPLNLGQSA-N
MW258.29 g/mol
LogP3.02
Rot. Bonds2

About cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine

cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine (PubChem CID 146194427) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Namecis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine
PubChem CID146194427
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Namecis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine
SMILESCN(c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C13H17F3N2/c1-18(12-7-4-10(17)8-12)11-5-2-9(3-6-11)13(14,15)16/h2-3,5-6,10,12H,4,7-8,17H2,1H3/t10-,12+/m0/s1
InChIKeyDALHKSJGRLIWJW-CMPLNLGQSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine?
The IUPAC name of cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine (CID 146194427) is cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine.
What is the SMILES notation for cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine?
The canonical SMILES for cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine is CN(c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine?
The InChIKey is DALHKSJGRLIWJW-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-18(12-7-4-10(17)8-12)11-5-2-9(3-6-11)13(14,15)16/h2-3,5-6,10,12H,4,7-8,17H2,1H3/t10-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine?
cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine has a molecular weight of 258.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-N-methyl-3-N-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 146194427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).