2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol

C12H25NO3 — CID 66336545

IUPAC2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)COCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-3-6-13-9-12(2,14)10-15-8-11-5-4-7-16-11/h11,13-14H,3-10H2,1-2H3
InChIKeyWIHVZVGXKHESNR-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds8

About 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol

2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol (PubChem CID 66336545) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
PubChem CID66336545
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
SMILESCCCNCC(C)(O)COCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-3-6-13-9-12(2,14)10-15-8-11-5-4-7-16-11/h11,13-14H,3-10H2,1-2H3
InChIKeyWIHVZVGXKHESNR-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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-(ethylamino)-2-methyl-3-(oxan-2-ylmethoxy)propan-2-ol
CID 66335337
N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79621620
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
CID 79620046
1-(2-methoxyethylamino)-2-methyl-3-(oxolan-2-yl)propan-2-ol
CID 66037769
3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
CID 64571645
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805051
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
CID 102640931
2,2-dimethyl-3-[3-(oxolan-2-ylmethoxy)propanoylamino]propanoic acid
CID 119249846
tert-butyl N-[2-[3-(oxolan-2-ylmethoxy)propylamino]ethyl]carbamate
CID 115606970

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol (CID 66336545) is 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol is CCCNCC(C)(O)COCC1CCCO1.
What is the InChIKey of 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol?
The InChIKey is WIHVZVGXKHESNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-6-13-9-12(2,14)10-15-8-11-5-4-7-16-11/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol?
2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 66336545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).