4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol

C14H27NO3 — CID 136548194

IUPAC4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol
SMILESCOC1CC(NCC(C)(C)C2(O)CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-13(2,14(16)4-6-18-7-5-14)10-15-11-8-12(9-11)17-3/h11-12,15-16H,4-10H2,1-3H3
InChIKeyATGSJLGGYBTKCZ-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.32
Rot. Bonds5

About 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol

4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol (PubChem CID 136548194) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol
PubChem CID136548194
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol
SMILESCOC1CC(NCC(C)(C)C2(O)CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-13(2,14(16)4-6-18-7-5-14)10-15-11-8-12(9-11)17-3/h11-12,15-16H,4-10H2,1-3H3
InChIKeyATGSJLGGYBTKCZ-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-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

N-(2,2-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104588064
2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol
CID 104871942
1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol
CID 104589300
4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol
CID 112554599
2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide
CID 114119327
N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104870848
1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-ol
CID 65107402
1,1-difluoro-3-[(3-methoxycyclobutyl)amino]propan-2-ol
CID 104871868
N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine
CID 104871443
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808
N-[(2,2-dimethylcyclopropyl)methyl]-3-methoxycyclobutan-1-amine
CID 104871472
tert-butyl N-cyclopropyl-N-[2-[(3-methoxycyclobutyl)amino]ethyl]carbamate
CID 104871326

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol?
The IUPAC name of 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol (CID 136548194) is 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol.
What is the SMILES notation for 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol?
The canonical SMILES for 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol is COC1CC(NCC(C)(C)C2(O)CCOCC2)C1.
What is the InChIKey of 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol?
The InChIKey is ATGSJLGGYBTKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,14(16)4-6-18-7-5-14)10-15-11-8-12(9-11)17-3/h11-12,15-16H,4-10H2,1-3H3.
What are the key properties of 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol?
4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol has a molecular weight of 257.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol is sourced from PubChem (CID 136548194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).