1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C17H33NO2 — CID 65117230

IUPAC1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCOC1CC(NCC2(O)CCC(C)(C)CC2)C1(C)C
InChIInChI=1S/C17H33NO2/c1-6-20-14-11-13(16(14,4)5)18-12-17(19)9-7-15(2,3)8-10-17/h13-14,18-19H,6-12H2,1-5H3
InChIKeyDUOJZNGIYGLMKI-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.11
Rot. Bonds5

About 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65117230) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65117230
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCOC1CC(NCC2(O)CCC(C)(C)CC2)C1(C)C
InChIInChI=1S/C17H33NO2/c1-6-20-14-11-13(16(14,4)5)18-12-17(19)9-7-15(2,3)8-10-17/h13-14,18-19H,6-12H2,1-5H3
InChIKeyDUOJZNGIYGLMKI-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65169776
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130600
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
CID 64852708
4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol
CID 81131372
1-(dimethylamino)-3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-ol
CID 103922036
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 64850719
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclopentan-1-amine
CID 79860973
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 65117230) is 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CCOC1CC(NCC2(O)CCC(C)(C)CC2)C1(C)C.
What is the InChIKey of 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is DUOJZNGIYGLMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-6-20-14-11-13(16(14,4)5)18-12-17(19)9-7-15(2,3)8-10-17/h13-14,18-19H,6-12H2,1-5H3.
What are the key properties of 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65117230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).