(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane

C14H28N2 — CID 59783677

IUPAC(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)CN1C[C@H]2C[C@@H]1CN2C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)10-15-8-12-7-11(15)9-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyBAXMXQGNNINNNV-VXGBXAGGSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds1

About (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 59783677) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID59783677
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)CN1C[C@H]2C[C@@H]1CN2C(C)(C)C
InChIInChI=1S/C14H28N2/c1-13(2,3)10-15-8-12-7-11(15)9-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyBAXMXQGNNINNNV-VXGBXAGGSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane (CID 59783677) is (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)(C)CN1C[C@H]2C[C@@H]1CN2C(C)(C)C.
What is the InChIKey of (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is BAXMXQGNNINNNV-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2,3)10-15-8-12-7-11(15)9-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 224.39 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-tert-butyl-5-(2,2-dimethylpropyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 59783677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).