3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol

C10H21NO2 — CID 112633134

IUPAC3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCOCC(C)NC1CC(O)C1(C)C
InChIInChI=1S/C10H21NO2/c1-7(6-13-4)11-8-5-9(12)10(8,2)3/h7-9,11-12H,5-6H2,1-4H3
InChIKeyLFHKPTKFSAWAMC-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds4

About 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol

3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633134) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112633134
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol
SMILESCOCC(C)NC1CC(O)C1(C)C
InChIInChI=1S/C10H21NO2/c1-7(6-13-4)11-8-5-9(12)10(8,2)3/h7-9,11-12H,5-6H2,1-4H3
InChIKeyLFHKPTKFSAWAMC-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(4-methylpentan-2-ylamino)cyclobutan-1-ol
CID 112633394
3-[(2-hydroxy-3-methoxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634064
2,2-dimethyl-3-(4-methylsulfanylbutan-2-ylamino)cyclobutan-1-ol
CID 115976765
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
methyl (2S)-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 103948463
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
CID 114629226
3-(2-methoxyethylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633105
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
3-[[(2R)-1-hydroxybutan-2-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 103952275
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)cyclobutan-1-ol
CID 112633301

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol (CID 112633134) is 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol is COCC(C)NC1CC(O)C1(C)C.
What is the InChIKey of 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is LFHKPTKFSAWAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(6-13-4)11-8-5-9(12)10(8,2)3/h7-9,11-12H,5-6H2,1-4H3.
What are the key properties of 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol?
3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropan-2-ylamino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).