3-(1-hydroxyethylamino)-2-methylpropan-1-ol

C6H15NO2 — CID 57165615

IUPAC3-(1-hydroxyethylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)O
InChIInChI=1S/C6H15NO2/c1-5(4-8)3-7-6(2)9/h5-9H,3-4H2,1-2H3
InChIKeySCULDNQQUZGHFI-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.46
Rot. Bonds4

About 3-(1-hydroxyethylamino)-2-methylpropan-1-ol

3-(1-hydroxyethylamino)-2-methylpropan-1-ol (PubChem CID 57165615) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 3-(1-hydroxyethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(1-hydroxyethylamino)-2-methylpropan-1-ol
PubChem CID57165615
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name3-(1-hydroxyethylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNC(C)O
InChIInChI=1S/C6H15NO2/c1-5(4-8)3-7-6(2)9/h5-9H,3-4H2,1-2H3
InChIKeySCULDNQQUZGHFI-UHFFFAOYSA-N
XLogP-0.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(1-hydroxyethylamino)-2-methylpropan-1-ol (CID 57165615) is 3-(1-hydroxyethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(1-hydroxyethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(1-hydroxyethylamino)-2-methylpropan-1-ol is CC(CO)CNC(C)O.
What is the InChIKey of 3-(1-hydroxyethylamino)-2-methylpropan-1-ol?
The InChIKey is SCULDNQQUZGHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(4-8)3-7-6(2)9/h5-9H,3-4H2,1-2H3.
What are the key properties of 3-(1-hydroxyethylamino)-2-methylpropan-1-ol?
3-(1-hydroxyethylamino)-2-methylpropan-1-ol has a molecular weight of 133.19 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 57165615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).