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

C15H28F3NO — CID 66275514

IUPAC2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
SMILESCC(OC1(CNC(C)(C)C)CCCCCC1)C(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-12(15(16,17)18)20-14(11-19-13(2,3)4)9-7-5-6-8-10-14/h12,19H,5-11H2,1-4H3
InChIKeyNIFLEOUSLHGNOK-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.43
Rot. Bonds4

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

2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine (PubChem CID 66275514) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
PubChem CID66275514
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
SMILESCC(OC1(CNC(C)(C)C)CCCCCC1)C(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-12(15(16,17)18)20-14(11-19-13(2,3)4)9-7-5-6-8-10-14/h12,19H,5-11H2,1-4H3
InChIKeyNIFLEOUSLHGNOK-UHFFFAOYSA-N
XLogP4.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.43
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)cycloheptyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine (CID 66275514) is 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine is CC(OC1(CNC(C)(C)C)CCCCCC1)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine?
The InChIKey is NIFLEOUSLHGNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-12(15(16,17)18)20-14(11-19-13(2,3)4)9-7-5-6-8-10-14/h12,19H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine?
2-methyl-N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 4.43, 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)cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 66275514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).