2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol

C12H25NO — CID 112633394

IUPAC2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
SMILESCC(C)CC(C)NC1CC(O)C1(C)C
InChIInChI=1S/C12H25NO/c1-8(2)6-9(3)13-10-7-11(14)12(10,4)5/h8-11,13-14H,6-7H2,1-5H3
InChIKeySSPLWUIGCDHCHN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol

2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol (PubChem CID 112633394) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
PubChem CID112633394
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
SMILESCC(C)CC(C)NC1CC(O)C1(C)C
InChIInChI=1S/C12H25NO/c1-8(2)6-9(3)13-10-7-11(14)12(10,4)5/h8-11,13-14H,6-7H2,1-5H3
InChIKeySSPLWUIGCDHCHN-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633134
3-(1-ethylsulfanylpropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
CID 115977674
3-[4-(dimethylamino)butan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633910
2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
CID 114629226
2,2-dimethyl-3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutan-1-ol
CID 112633726
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propane-1,3-diol
CID 112634110
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
CID 104940467
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977773
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 103107048
3-[[(1R)-1-cyclopentylethyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 103948487

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol (CID 112633394) is 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol is CC(C)CC(C)NC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol?
The InChIKey is SSPLWUIGCDHCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-8(2)6-9(3)13-10-7-11(14)12(10,4)5/h8-11,13-14H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol is sourced from PubChem (CID 112633394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).