2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine

C13H24F3NO — CID 66277242

IUPAC2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(OC1(CNC(C)(C)C)CCCC1)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(13(14,15)16)18-12(7-5-6-8-12)9-17-11(2,3)4/h10,17H,5-9H2,1-4H3
InChIKeyMJPBXOXSHKJQJT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.65
Rot. Bonds4

About 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine

2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine (PubChem CID 66277242) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine
PubChem CID66277242
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine
SMILESCC(OC1(CNC(C)(C)C)CCCC1)C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(13(14,15)16)18-12(7-5-6-8-12)9-17-11(2,3)4/h10,17H,5-9H2,1-4H3
InChIKeyMJPBXOXSHKJQJT-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine (CID 66277242) is 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine is CC(OC1(CNC(C)(C)C)CCCC1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine?
The InChIKey is MJPBXOXSHKJQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(13(14,15)16)18-12(7-5-6-8-12)9-17-11(2,3)4/h10,17H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine?
2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 66277242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).