3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane

C18H30F2N2 — CID 170012194

IUPAC3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)N1CC2C(C1)C2CC(C)(C)N1CC2C(C1)C2(F)F
InChIInChI=1S/C18H30F2N2/c1-16(2,3)21-7-12-11(13(12)8-21)6-17(4,5)22-9-14-15(10-22)18(14,19)20/h11-15H,6-10H2,1-5H3
InChIKeyYRTTVGNBFGFNCI-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.33
Rot. Bonds3

About 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane

3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 170012194) has the molecular formula C18H30F2N2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID170012194
Molecular FormulaC18H30F2N2
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)N1CC2C(C1)C2CC(C)(C)N1CC2C(C1)C2(F)F
InChIInChI=1S/C18H30F2N2/c1-16(2,3)21-7-12-11(13(12)8-21)6-17(4,5)22-9-14-15(10-22)18(14,19)20/h11-15H,6-10H2,1-5H3
InChIKeyYRTTVGNBFGFNCI-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

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CID 131990059
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CID 161198486
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CID 161463799

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane (CID 170012194) is 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane is CC(C)(C)N1CC2C(C1)C2CC(C)(C)N1CC2C(C1)C2(F)F.
What is the InChIKey of 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is YRTTVGNBFGFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2N2/c1-16(2,3)21-7-12-11(13(12)8-21)6-17(4,5)22-9-14-15(10-22)18(14,19)20/h11-15H,6-10H2,1-5H3.
What are the key properties of 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 312.45 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 170012194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).