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

C18H35NO2 — CID 65169776

IUPAC1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCOC1CC(NCC2(O)CCC(C)(C)CC2)C1(C)CC
InChIInChI=1S/C18H35NO2/c1-6-17(5)14(12-15(17)21-7-2)19-13-18(20)10-8-16(3,4)9-11-18/h14-15,19-20H,6-13H2,1-5H3
InChIKeyRGLZTOKBHZLBLJ-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.50
Rot. Bonds6

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

1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65169776) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65169776
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCOC1CC(NCC2(O)CCC(C)(C)CC2)C1(C)CC
InChIInChI=1S/C18H35NO2/c1-6-17(5)14(12-15(17)21-7-2)19-13-18(20)10-8-16(3,4)9-11-18/h14-15,19-20H,6-13H2,1-5H3
InChIKeyRGLZTOKBHZLBLJ-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117230
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-2-methyl-N-(3-methylbut-2-enyl)cyclobutan-1-amine
CID 106180794
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-(2-butoxyethyl)-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168217
1-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pentan-3-ol
CID 113497546
N-cyclopentyloxy-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 83229564
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]ethyl carbamate
CID 83210264
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol
CID 81131372

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 65169776) is 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CCOC1CC(NCC2(O)CCC(C)(C)CC2)C1(C)CC.
What is the InChIKey of 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is RGLZTOKBHZLBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-6-17(5)14(12-15(17)21-7-2)19-13-18(20)10-8-16(3,4)9-11-18/h14-15,19-20H,6-13H2,1-5H3.
What are the key properties of 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 297.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65169776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).