2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol

C12H18N2O — CID 103952292

IUPAC2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
SMILESCc1cncc(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C12H18N2O/c1-8-4-9(7-13-6-8)14-10-5-11(15)12(10,2)3/h4,6-7,10-11,14-15H,5H2,1-3H3
InChIKeyPRFOSEZUIPBEIH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.96
Rot. Bonds2

About 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol (PubChem CID 103952292) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
PubChem CID103952292
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
SMILESCc1cncc(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C12H18N2O/c1-8-4-9(7-13-6-8)14-10-5-11(15)12(10,2)3/h4,6-7,10-11,14-15H,5H2,1-3H3
InChIKeyPRFOSEZUIPBEIH-UHFFFAOYSA-N
XLogP1.96
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
2,2-dimethyl-3-[(6-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 112634209
3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224
3-[(3,5-dibromo-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630231
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630263
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-[(6-hydrazinylpyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114633026
3-[(2-amino-4-pyridinyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632838

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol (CID 103952292) is 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol is Cc1cncc(NC2CC(O)C2(C)C)c1.
What is the InChIKey of 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol?
The InChIKey is PRFOSEZUIPBEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-4-9(7-13-6-8)14-10-5-11(15)12(10,2)3/h4,6-7,10-11,14-15H,5H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 103952292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).