1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol

C12H25NO2 — CID 116525058

IUPAC1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25NO2/c1-4-7-13-9-10(14)8-11-5-6-12(2,3)15-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyACSLRLXXJFCROF-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.69
Rot. Bonds6

About 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol

1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol (PubChem CID 116525058) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
PubChem CID116525058
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25NO2/c1-4-7-13-9-10(14)8-11-5-6-12(2,3)15-11/h10-11,13-14H,4-9H2,1-3H3
InChIKeyACSLRLXXJFCROF-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 116525065
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116523688
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-3-methylbutan-1-amine
CID 116523574
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
1-(5,5-dimethyloxolan-2-yl)-N-ethylpropan-2-amine
CID 116524133
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
1-(5,5-dimethyloxolan-2-yl)butan-2-amine
CID 116524943
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 116523809
4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 116523832
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 116523573
N-[[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 116523691

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol (CID 116525058) is 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol is CCCNCC(O)CC1CCC(C)(C)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol?
The InChIKey is ACSLRLXXJFCROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-13-9-10(14)8-11-5-6-12(2,3)15-11/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol?
1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 116525058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).