1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol

C14H30N2O3 — CID 106992271

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H30N2O3/c1-15(2)14(6-5-7-14)12-16(3)10-13(17)11-19-9-8-18-4/h13,17H,5-12H2,1-4H3
InChIKeyOZWSQCGZWLLJSZ-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.43
Rot. Bonds10

About 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol

1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992271) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992271
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H30N2O3/c1-15(2)14(6-5-7-14)12-16(3)10-13(17)11-19-9-8-18-4/h13,17H,5-12H2,1-4H3
InChIKeyOZWSQCGZWLLJSZ-UHFFFAOYSA-N
XLogP0.43
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992167
1-(cyclopropylamino)-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propan-2-ol
CID 105414257
1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol
CID 62271318
1-butoxy-3-[[1-(dimethylamino)cyclobutyl]methylamino]propan-2-ol
CID 107263150
1-methoxy-3-[3-(2-methoxyethoxy)propyl-methylamino]propan-2-ol
CID 103412009
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethoxypropanoic acid
CID 105418423

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol (CID 106992271) is 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is OZWSQCGZWLLJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-15(2)14(6-5-7-14)12-16(3)10-13(17)11-19-9-8-18-4/h13,17H,5-12H2,1-4H3.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol?
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 0.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).