2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one

C14H25F3N2O — CID 79811583

IUPAC2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(C)(C)C1CCCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-12(2,3)10-6-5-8-19(9-7-10)11(20)13(4,18)14(15,16)17/h10H,5-9,18H2,1-4H3
InChIKeyQIFINSPULDMPRG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.94
Rot. Bonds1

About 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one

2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 79811583) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID79811583
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
SMILESCC(C)(C)C1CCCN(C(=O)C(C)(N)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O/c1-12(2,3)10-6-5-8-19(9-7-10)11(20)13(4,18)14(15,16)17/h10H,5-9,18H2,1-4H3
InChIKeyQIFINSPULDMPRG-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one (CID 79811583) is 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one is CC(C)(C)C1CCCN(C(=O)C(C)(N)C(F)(F)F)CC1.
What is the InChIKey of 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is QIFINSPULDMPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-12(2,3)10-6-5-8-19(9-7-10)11(20)13(4,18)14(15,16)17/h10H,5-9,18H2,1-4H3.
What are the key properties of 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one?
2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 294.36 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butylazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 79811583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).