4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine

C12H21N3 — CID 104830614

IUPAC4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(NC(C)C(C)(C)C)ccn1
InChIInChI=1S/C12H21N3/c1-9(12(2,3)4)15-10-6-7-14-11(8-10)13-5/h6-9H,1-5H3,(H2,13,14,15)
InChIKeyOQRGVMBLRNZCBQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds3

About 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine

4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine (PubChem CID 104830614) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
PubChem CID104830614
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine
SMILESCNc1cc(NC(C)C(C)(C)C)ccn1
InChIInChI=1S/C12H21N3/c1-9(12(2,3)4)15-10-6-7-14-11(8-10)13-5/h6-9H,1-5H3,(H2,13,14,15)
InChIKeyOQRGVMBLRNZCBQ-UHFFFAOYSA-N
XLogP2.97
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-[[2-(methylamino)-4-pyridinyl]amino]butanoate
CID 113367705
N-(3,3-dimethylbutan-2-yl)-4-methoxypyridin-2-amine
CID 115922894
N-(3,3-dimethylbutan-2-yl)pyridin-2-amine
CID 112704501
N-[2-(methylamino)-4-pyridinyl]acetamide
CID 118178199
4-N-(3-fluoro-5-methylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367935
N-(3,3-dimethylbutan-2-yl)-6-methylpyridin-3-amine
CID 115921577
2-tert-butyl-4-N-(3,3-dimethylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 104830549
4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367409
4-N-(3,3-dimethylbutan-2-yl)pyrimidine-2,4-diamine
CID 104830588
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
CID 113367648
2-N-ethyl-4-N-(4,4,4-trifluorobutan-2-yl)pyridine-2,4-diamine
CID 114131334
2-N-methyl-4-N-(2,3,5,6-tetrafluorophenyl)pyridine-2,4-diamine
CID 107647069

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine (CID 104830614) is 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine is CNc1cc(NC(C)C(C)(C)C)ccn1.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine?
The InChIKey is OQRGVMBLRNZCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(12(2,3)4)15-10-6-7-14-11(8-10)13-5/h6-9H,1-5H3,(H2,13,14,15).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine?
4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-2-N-methylpyridine-2,4-diamine is sourced from PubChem (CID 104830614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).