(2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane

C7H14N2 — CID 639498

IUPAC(2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane
SMILESCC1N2[C@H](C)C[C@H](C)N12
InChIInChI=1S/C7H14N2/c1-5-4-6(2)9-7(3)8(5)9/h5-7H,4H2,1-3H3/t5-,6+,7?,8?,9?
InChIKeyNLMJDJJMLLUEDB-GFQQECDTSA-N
MW126.20 g/mol
LogP1.05
Rot. Bonds

About (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane

(2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane (PubChem CID 639498) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane
PubChem CID639498
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane
SMILESCC1N2[C@H](C)C[C@H](C)N12
InChIInChI=1S/C7H14N2/c1-5-4-6(2)9-7(3)8(5)9/h5-7H,4H2,1-3H3/t5-,6+,7?,8?,9?
InChIKeyNLMJDJJMLLUEDB-GFQQECDTSA-N
XLogP1.05
TPSA6.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-1-azabicyclo[2.2.0]hexane
CID 177010118
(2R,4S,8S,10R)-2,4,8,10-tetramethyl-1,5,7,11-tetrazatetracyclo[9.2.1.05,13.07,12]tetradecane
CID 15691263
1,3,6,8-tetramethylcyclodecane
CID 162455053
(3R)-1,3-dimethylcyclopentane
CID 13119651
2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine
CID 58813629
4,6-dimethyl-1,3-di(propan-2-yl)-1,3,2-diazaphosphinane
CID 90895376
(2S)-1-bromo-2-methylaziridine
CID 134926712
1-iodo-2-methylaziridine
CID 139722499
(2R)-2-methyl-1-oxidoaziridine
CID 101244990
ethane;1,2,4,6-tetramethylpiperidine
CID 164865353
N,2,4-trimethylazetidine-1-sulfonamide
CID 126990130
(2R)-4-cyclopropyl-2-methylpyrrolidin-1-amine
CID 89010721

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane?
The IUPAC name of (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane (CID 639498) is (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane.
What is the SMILES notation for (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane?
The canonical SMILES for (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane is CC1N2[C@H](C)C[C@H](C)N12.
What is the InChIKey of (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane?
The InChIKey is NLMJDJJMLLUEDB-GFQQECDTSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-4-6(2)9-7(3)8(5)9/h5-7H,4H2,1-3H3/t5-,6+,7?,8?,9?.
What are the key properties of (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane?
(2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane has a molecular weight of 126.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane is sourced from PubChem (CID 639498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).