1-[hydroxymethyl(propyl)amino]propan-2-ol

C7H17NO2 — CID 22642440

IUPAC1-[hydroxymethyl(propyl)amino]propan-2-ol
SMILESCCCN(CO)CC(C)O
InChIInChI=1S/C7H17NO2/c1-3-4-8(6-9)5-7(2)10/h7,9-10H,3-6H2,1-2H3
InChIKeyAQQSJYNQFIVMKW-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.03
Rot. Bonds5

About 1-[hydroxymethyl(propyl)amino]propan-2-ol

1-[hydroxymethyl(propyl)amino]propan-2-ol (PubChem CID 22642440) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1-[hydroxymethyl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[hydroxymethyl(propyl)amino]propan-2-ol
PubChem CID22642440
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1-[hydroxymethyl(propyl)amino]propan-2-ol
SMILESCCCN(CO)CC(C)O
InChIInChI=1S/C7H17NO2/c1-3-4-8(6-9)5-7(2)10/h7,9-10H,3-6H2,1-2H3
InChIKeyAQQSJYNQFIVMKW-UHFFFAOYSA-N
XLogP0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
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 1-[hydroxymethyl(propyl)amino]propan-2-ol?
The IUPAC name of 1-[hydroxymethyl(propyl)amino]propan-2-ol (CID 22642440) is 1-[hydroxymethyl(propyl)amino]propan-2-ol.
What is the SMILES notation for 1-[hydroxymethyl(propyl)amino]propan-2-ol?
The canonical SMILES for 1-[hydroxymethyl(propyl)amino]propan-2-ol is CCCN(CO)CC(C)O.
What is the InChIKey of 1-[hydroxymethyl(propyl)amino]propan-2-ol?
The InChIKey is AQQSJYNQFIVMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-4-8(6-9)5-7(2)10/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 1-[hydroxymethyl(propyl)amino]propan-2-ol?
1-[hydroxymethyl(propyl)amino]propan-2-ol has a molecular weight of 147.22 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxymethyl(propyl)amino]propan-2-ol is sourced from PubChem (CID 22642440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).