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

C12H25NO3 — CID 106990533

IUPAC1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCCC1(NCC(O)COCCOC)CCC1
InChIInChI=1S/C12H25NO3/c1-3-12(5-4-6-12)13-9-11(14)10-16-8-7-15-2/h11,13-14H,3-10H2,1-2H3
InChIKeyJDKJVJXTTOZLBF-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds9

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

1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106990533) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106990533
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCCC1(NCC(O)COCCOC)CCC1
InChIInChI=1S/C12H25NO3/c1-3-12(5-4-6-12)13-9-11(14)10-16-8-7-15-2/h11,13-14H,3-10H2,1-2H3
InChIKeyJDKJVJXTTOZLBF-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989862
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-butoxy-3-[[1-(hydroxymethyl)cyclobutyl]amino]propan-2-ol
CID 107263123
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
(2S)-3-[(1-ethylcyclobutyl)amino]propane-1,2-diol
CID 104866229
1-[[1-(hydroxymethyl)cyclopentyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62517581
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
1-[1-(aminomethyl)cycloheptyl]oxy-3-(2-methoxyethoxy)propan-2-ol
CID 106988270
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 107163780
1-[(1-aminocycloheptyl)methoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106991237

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol (CID 106990533) is 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol is CCC1(NCC(O)COCCOC)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is JDKJVJXTTOZLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-12(5-4-6-12)13-9-11(14)10-16-8-7-15-2/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol?
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106990533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).