2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine

C14H25F3N2 — CID 66774983

IUPAC2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
SMILESCCC(C)CNCC1C2CN(CCC(F)(F)F)CC12
InChIInChI=1S/C14H25F3N2/c1-3-10(2)6-18-7-11-12-8-19(9-13(11)12)5-4-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyDUUQYOVGEYUVEJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.75
Rot. Bonds7

About 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine

2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine (PubChem CID 66774983) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
PubChem CID66774983
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine
SMILESCCC(C)CNCC1C2CN(CCC(F)(F)F)CC12
InChIInChI=1S/C14H25F3N2/c1-3-10(2)6-18-7-11-12-8-19(9-13(11)12)5-4-14(15,16)17/h10-13,18H,3-9H2,1-2H3
InChIKeyDUUQYOVGEYUVEJ-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine (CID 66774983) is 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine is CCC(C)CNCC1C2CN(CCC(F)(F)F)CC12.
What is the InChIKey of 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine?
The InChIKey is DUUQYOVGEYUVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-3-10(2)6-18-7-11-12-8-19(9-13(11)12)5-4-14(15,16)17/h10-13,18H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine?
2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine has a molecular weight of 278.36 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]butan-1-amine is sourced from PubChem (CID 66774983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).