N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine

C14H24F3NO — CID 66274645

IUPACN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine
SMILESCC(OC1(CNC2CC2)CCCCCC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-11(14(15,16)17)19-13(10-18-12-6-7-12)8-4-2-3-5-9-13/h11-12,18H,2-10H2,1H3
InChIKeyVTICJEWNYKDFGI-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.80
Rot. Bonds5

About N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine

N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine (PubChem CID 66274645) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine
PubChem CID66274645
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine
SMILESCC(OC1(CNC2CC2)CCCCCC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-11(14(15,16)17)19-13(10-18-12-6-7-12)8-4-2-3-5-9-13/h11-12,18H,2-10H2,1H3
InChIKeyVTICJEWNYKDFGI-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine (CID 66274645) is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine is CC(OC1(CNC2CC2)CCCCCC1)C(F)(F)F.
What is the InChIKey of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine?
The InChIKey is VTICJEWNYKDFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-11(14(15,16)17)19-13(10-18-12-6-7-12)8-4-2-3-5-9-13/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine?
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine has a molecular weight of 279.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 66274645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).