(1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane

C15H29N — CID 166766977

IUPAC(1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)C(C)N1[C@H](C(C)(C)C)C[C@@]2(C)C[C@@H]12
InChIInChI=1S/C15H29N/c1-10(2)11(3)16-12(14(4,5)6)8-15(7)9-13(15)16/h10-13H,8-9H2,1-7H3/t11?,12-,13+,15-/m0/s1
InChIKeyGEZJEVGKNXYEIX-FLTXBFBQSA-N
MW223.40 g/mol
LogP3.93
Rot. Bonds2

About (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane

(1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane (PubChem CID 166766977) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane
PubChem CID166766977
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name(1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)C(C)N1[C@H](C(C)(C)C)C[C@@]2(C)C[C@@H]12
InChIInChI=1S/C15H29N/c1-10(2)11(3)16-12(14(4,5)6)8-15(7)9-13(15)16/h10-13H,8-9H2,1-7H3/t11?,12-,13+,15-/m0/s1
InChIKeyGEZJEVGKNXYEIX-FLTXBFBQSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane (CID 166766977) is (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane is CC(C)C(C)N1[C@H](C(C)(C)C)C[C@@]2(C)C[C@@H]12.
What is the InChIKey of (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is GEZJEVGKNXYEIX-FLTXBFBQSA-N. The full InChI is InChI=1S/C15H29N/c1-10(2)11(3)16-12(14(4,5)6)8-15(7)9-13(15)16/h10-13H,8-9H2,1-7H3/t11?,12-,13+,15-/m0/s1.
What are the key properties of (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane?
(1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 223.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 166766977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).