1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol

C10H21NO2 — CID 79087400

IUPAC1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol
SMILESCN(C)CC(O)CC1CCOCC1
InChIInChI=1S/C10H21NO2/c1-11(2)8-10(12)7-9-3-5-13-6-4-9/h9-10,12H,3-8H2,1-2H3
InChIKeyQLMQSMBANWCRJF-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.73
Rot. Bonds4

About 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol

1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol (PubChem CID 79087400) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol
PubChem CID79087400
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol
SMILESCN(C)CC(O)CC1CCOCC1
InChIInChI=1S/C10H21NO2/c1-11(2)8-10(12)7-9-3-5-13-6-4-9/h9-10,12H,3-8H2,1-2H3
InChIKeyQLMQSMBANWCRJF-UHFFFAOYSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol (CID 79087400) is 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol is CN(C)CC(O)CC1CCOCC1.
What is the InChIKey of 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol?
The InChIKey is QLMQSMBANWCRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-11(2)8-10(12)7-9-3-5-13-6-4-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol?
1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(oxan-4-yl)propan-2-ol is sourced from PubChem (CID 79087400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).