N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

C14H25F3N2 — CID 116535628

IUPACN-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(CCCC(F)(F)F)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H25F3N2/c1-10(4-3-7-14(15,16)17)19(2)13-8-11-5-6-12(9-13)18-11/h10-13,18H,3-9H2,1-2H3
InChIKeyKXVBLUHOBVKYHI-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 116535628) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID116535628
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC NameN-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(CCCC(F)(F)F)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C14H25F3N2/c1-10(4-3-7-14(15,16)17)19(2)13-8-11-5-6-12(9-13)18-11/h10-13,18H,3-9H2,1-2H3
InChIKeyKXVBLUHOBVKYHI-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 116535628) is N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is CC(CCCC(F)(F)F)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KXVBLUHOBVKYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-10(4-3-7-14(15,16)17)19(2)13-8-11-5-6-12(9-13)18-11/h10-13,18H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6,6,6-trifluorohexan-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 116535628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).