3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol

C14H27NO3 — CID 102858494

IUPAC3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol
SMILESOCCCN(CCOC1CCCCO1)C1CCC1
InChIInChI=1S/C14H27NO3/c16-10-4-8-15(13-5-3-6-13)9-12-18-14-7-1-2-11-17-14/h13-14,16H,1-12H2
InChIKeyIQMMYCDUAVKBML-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.77
Rot. Bonds8

About 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol

3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol (PubChem CID 102858494) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol
PubChem CID102858494
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol
SMILESOCCCN(CCOC1CCCCO1)C1CCC1
InChIInChI=1S/C14H27NO3/c16-10-4-8-15(13-5-3-6-13)9-12-18-14-7-1-2-11-17-14/h13-14,16H,1-12H2
InChIKeyIQMMYCDUAVKBML-UHFFFAOYSA-N
XLogP1.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[methyl-[2-[(2S)-oxan-2-yl]oxyethyl]amino]propan-1-ol
CID 146469318
2-[2-hydroxyethyl(methyl)amino]ethanol;2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]ethanol
CID 68855298
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol
CID 102848652
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
3-[cyclobutyl(4-methoxybutyl)amino]propan-1-ol
CID 102848821
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
3-[cyclopentyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 111488864
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-(14-cyclobutyltetradecoxy)oxane
CID 151611436

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol (CID 102858494) is 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol is OCCCN(CCOC1CCCCO1)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol?
The InChIKey is IQMMYCDUAVKBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c16-10-4-8-15(13-5-3-6-13)9-12-18-14-7-1-2-11-17-14/h13-14,16H,1-12H2.
What are the key properties of 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol?
3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol has a molecular weight of 257.37 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[2-(oxan-2-yloxy)ethyl]amino]propan-1-ol is sourced from PubChem (CID 102858494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).