N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine

C15H27F2NO — CID 82005687

IUPACN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
SMILESCC(C)C1CCC(CNC2CC2)(OCC(F)F)CC1
InChIInChI=1S/C15H27F2NO/c1-11(2)12-5-7-15(8-6-12,19-9-14(16)17)10-18-13-3-4-13/h11-14,18H,3-10H2,1-2H3
InChIKeyRKPMMDJLTXSBIX-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.61
Rot. Bonds7

About N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine

N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine (PubChem CID 82005687) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
PubChem CID82005687
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC NameN-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
SMILESCC(C)C1CCC(CNC2CC2)(OCC(F)F)CC1
InChIInChI=1S/C15H27F2NO/c1-11(2)12-5-7-15(8-6-12,19-9-14(16)17)10-18-13-3-4-13/h11-14,18H,3-10H2,1-2H3
InChIKeyRKPMMDJLTXSBIX-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine (CID 82005687) is N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine is CC(C)C1CCC(CNC2CC2)(OCC(F)F)CC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is RKPMMDJLTXSBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-11(2)12-5-7-15(8-6-12,19-9-14(16)17)10-18-13-3-4-13/h11-14,18H,3-10H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine?
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 275.38 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 82005687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).