2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C12H23F3N2 — CID 55248486

IUPAC2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)CC1CCCC1
InChIInChI=1S/C12H23F3N2/c1-10(7-16-9-12(13,14)15)17(2)8-11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3
InChIKeyWYTBRXHEUMXUTD-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds6

About 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 55248486) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID55248486
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)CC1CCCC1
InChIInChI=1S/C12H23F3N2/c1-10(7-16-9-12(13,14)15)17(2)8-11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3
InChIKeyWYTBRXHEUMXUTD-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 55248486) is 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCC(F)(F)F)N(C)CC1CCCC1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is WYTBRXHEUMXUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(7-16-9-12(13,14)15)17(2)8-11-5-3-4-6-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 55248486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).