trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine

C14H24F2N2 — CID 134429458

IUPACtrans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)N[C@@H]1CCCC[C@H]1N1CC2C(C1)C2(F)F
InChIInChI=1S/C14H24F2N2/c1-9(2)17-12-5-3-4-6-13(12)18-7-10-11(8-18)14(10,15)16/h9-13,17H,3-8H2,1-2H3/t10?,11?,12-,13-/m1/s1
InChIKeyIITHRJNCCYQPEP-FIYWTHMPSA-N
MW258.36 g/mol
LogP2.49
Rot. Bonds3

About trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine

trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 134429458) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID134429458
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametrans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC(C)N[C@@H]1CCCC[C@H]1N1CC2C(C1)C2(F)F
InChIInChI=1S/C14H24F2N2/c1-9(2)17-12-5-3-4-6-13(12)18-7-10-11(8-18)14(10,15)16/h9-13,17H,3-8H2,1-2H3/t10?,11?,12-,13-/m1/s1
InChIKeyIITHRJNCCYQPEP-FIYWTHMPSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine (CID 134429458) is trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine is CC(C)N[C@@H]1CCCC[C@H]1N1CC2C(C1)C2(F)F.
What is the InChIKey of trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is IITHRJNCCYQPEP-FIYWTHMPSA-N. The full InChI is InChI=1S/C14H24F2N2/c1-9(2)17-12-5-3-4-6-13(12)18-7-10-11(8-18)14(10,15)16/h9-13,17H,3-8H2,1-2H3/t10?,11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine?
trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 134429458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).