1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol

C13H27NO4 — CID 106992282

IUPAC1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(CCCO)C1CCC1
InChIInChI=1S/C13H27NO4/c1-17-8-9-18-11-13(16)10-14(6-3-7-15)12-4-2-5-12/h12-13,15-16H,2-11H2,1H3
InChIKeyYDYRSFUQRATVDW-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.25
Rot. Bonds11

About 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol

1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992282) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992282
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN(CCCO)C1CCC1
InChIInChI=1S/C13H27NO4/c1-17-8-9-18-11-13(16)10-14(6-3-7-15)12-4-2-5-12/h12-13,15-16H,2-11H2,1H3
InChIKeyYDYRSFUQRATVDW-UHFFFAOYSA-N
XLogP0.25
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992751
2-[cyclohexyl-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 104566071
2-[cyclopentyl(4-methoxybutyl)amino]ethanol
CID 115679647
1-[(4,4-dimethylcyclohexyl)-methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106992167
2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid
CID 107263550
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
CID 102848725
1-(2-methoxyethoxy)-3-[2-methoxyethyl(3-methoxypropyl)amino]propan-2-ol
CID 106991901
4-[cyclopropyl(2-methoxyethyl)amino]-3-hydroxybutanoic acid
CID 82770599
3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-(2-methoxyethoxy)-3-[methyl(pentyl)amino]propan-2-ol
CID 106991621

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol (CID 106992282) is 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN(CCCO)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is YDYRSFUQRATVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-17-8-9-18-11-13(16)10-14(6-3-7-15)12-4-2-5-12/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 261.36 g/mol, XLogP of 0.25, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(3-hydroxypropyl)amino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).