3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine

C10H18F2N2 — CID 165466745

IUPAC3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCNCC(F)(F)CN1CCC2CC2C1
InChIInChI=1S/C10H18F2N2/c1-13-6-10(11,12)7-14-3-2-8-4-9(8)5-14/h8-9,13H,2-7H2,1H3
InChIKeyKXCPYJYGMWCVIE-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.18
Rot. Bonds4

About 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine

3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine (PubChem CID 165466745) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine
PubChem CID165466745
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine
SMILESCNCC(F)(F)CN1CCC2CC2C1
InChIInChI=1S/C10H18F2N2/c1-13-6-10(11,12)7-14-3-2-8-4-9(8)5-14/h8-9,13H,2-7H2,1H3
InChIKeyKXCPYJYGMWCVIE-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine (CID 165466745) is 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine is CNCC(F)(F)CN1CCC2CC2C1.
What is the InChIKey of 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine?
The InChIKey is KXCPYJYGMWCVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-13-6-10(11,12)7-14-3-2-8-4-9(8)5-14/h8-9,13H,2-7H2,1H3.
What are the key properties of 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine?
3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine has a molecular weight of 204.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azabicyclo[4.1.0]heptan-3-yl)-2,2-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 165466745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).