5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen

C11H23N3 — CID 142530244

IUPAC5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen
SMILESCNc1cc(C(C)(C)C)cnc1NC.[H][H].[H][H]
InChIInChI=1S/C11H19N3.2H2/c1-11(2,3)8-6-9(12-4)10(13-5)14-7-8;;/h6-7,12H,1-5H3,(H,13,14);2*1H
InChIKeyKRZQUILNTYLJKN-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.95
Rot. Bonds2

About 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen

5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen (PubChem CID 142530244) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen.

Molecular Properties

Compound Name5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen
PubChem CID142530244
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen
SMILESCNc1cc(C(C)(C)C)cnc1NC.[H][H].[H][H]
InChIInChI=1S/C11H19N3.2H2/c1-11(2,3)8-6-9(12-4)10(13-5)14-7-8;;/h6-7,12H,1-5H3,(H,13,14);2*1H
InChIKeyKRZQUILNTYLJKN-UHFFFAOYSA-N
XLogP2.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen 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

3-tert-butyl-N,5-dimethylpyridin-2-amine
CID 170078702
3-hydrazinyl-N,5-dimethylpyridin-2-amine
CID 145029384
5-tert-butyl-2-N-[(Z)-prop-1-enyl]pyridine-2,3-diamine
CID 155370631
2,5-ditert-butyl-1H-pyrrolo[2,3-b]pyridine
CID 146323008
2-bromo-5-tert-butyl-N-methylaniline;hydrochloride
CID 167741746
2,4-ditert-butyl-6-(methylamino)phenol
CID 57470249
5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537
5-tert-butyl-2-ethoxy-N-methylaniline
CID 82264357
3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide
CID 137476979
2,6-ditert-butyl-1H-pyrrolo[3,2-b]pyridine
CID 138722526
3,6-ditert-butyl-N-methylquinolin-2-amine
CID 63382437
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 118148696

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen?
The IUPAC name of 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen (CID 142530244) is 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen.
What is the SMILES notation for 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen?
The canonical SMILES for 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen is CNc1cc(C(C)(C)C)cnc1NC.[H][H].[H][H].
What is the InChIKey of 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen?
The InChIKey is KRZQUILNTYLJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.2H2/c1-11(2,3)8-6-9(12-4)10(13-5)14-7-8;;/h6-7,12H,1-5H3,(H,13,14);2*1H.
What are the key properties of 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen?
5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen has a molecular weight of 197.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-N,3-N-dimethylpyridine-2,3-diamine;molecular hydrogen is sourced from PubChem (CID 142530244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).