(2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane

C7H15N3 — CID 55301542

IUPAC(2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESC[C@@H]1N[C@H](C)N2N1C2(C)C
InChIInChI=1S/C7H15N3/c1-5-8-6(2)10-7(3,4)9(5)10/h5-6,8H,1-4H3/t5-,6+,9?,10?
InChIKeyQQXCNZWUCAKXRG-XQWDCPGCSA-N
MW141.22 g/mol
LogP0.55
Rot. Bonds

About (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane

(2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane (PubChem CID 55301542) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane
PubChem CID55301542
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name(2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESC[C@@H]1N[C@H](C)N2N1C2(C)C
InChIInChI=1S/C7H15N3/c1-5-8-6(2)10-7(3,4)9(5)10/h5-6,8H,1-4H3/t5-,6+,9?,10?
InChIKeyQQXCNZWUCAKXRG-XQWDCPGCSA-N
XLogP0.55
TPSA18.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The IUPAC name of (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane (CID 55301542) is (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane.
What is the SMILES notation for (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The canonical SMILES for (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane is C[C@@H]1N[C@H](C)N2N1C2(C)C.
What is the InChIKey of (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane?
The InChIKey is QQXCNZWUCAKXRG-XQWDCPGCSA-N. The full InChI is InChI=1S/C7H15N3/c1-5-8-6(2)10-7(3,4)9(5)10/h5-6,8H,1-4H3/t5-,6+,9?,10?.
What are the key properties of (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane?
(2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane has a molecular weight of 141.22 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4,6,6-tetramethyl-1,3,5-triazabicyclo[3.1.0]hexane is sourced from PubChem (CID 55301542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).