1-aminopropan-2-ol;dodecylbenzene

C21H39NO — CID 138394836

IUPAC1-aminopropan-2-ol;dodecylbenzene
SMILESCC(O)CN.CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C18H30.C3H9NO/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-3(5)2-4/h11,13-14,16-17H,2-10,12,15H2,1H3;3,5H,2,4H2,1H3
InChIKeyBUYGZEAOFCSTDO-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.48
Rot. Bonds12

About 1-aminopropan-2-ol;dodecylbenzene

1-aminopropan-2-ol;dodecylbenzene (PubChem CID 138394836) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is 1-aminopropan-2-ol;dodecylbenzene.

Molecular Properties

Compound Name1-aminopropan-2-ol;dodecylbenzene
PubChem CID138394836
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC Name1-aminopropan-2-ol;dodecylbenzene
SMILESCC(O)CN.CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C18H30.C3H9NO/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-3(5)2-4/h11,13-14,16-17H,2-10,12,15H2,1H3;3,5H,2,4H2,1H3
InChIKeyBUYGZEAOFCSTDO-UHFFFAOYSA-N
XLogP5.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;dodecylbenzene?
The IUPAC name of 1-aminopropan-2-ol;dodecylbenzene (CID 138394836) is 1-aminopropan-2-ol;dodecylbenzene.
What is the SMILES notation for 1-aminopropan-2-ol;dodecylbenzene?
The canonical SMILES for 1-aminopropan-2-ol;dodecylbenzene is CC(O)CN.CCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 1-aminopropan-2-ol;dodecylbenzene?
The InChIKey is BUYGZEAOFCSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C3H9NO/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-3(5)2-4/h11,13-14,16-17H,2-10,12,15H2,1H3;3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;dodecylbenzene?
1-aminopropan-2-ol;dodecylbenzene has a molecular weight of 321.55 g/mol, XLogP of 5.48, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;dodecylbenzene is sourced from PubChem (CID 138394836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).