1-(methylamino)propan-1-ol

C4H11NO — CID 18461939

IUPAC1-(methylamino)propan-1-ol
SMILESCCC(O)NC
InChIInChI=1S/C4H11NO/c1-3-4(6)5-2/h4-6H,3H2,1-2H3
InChIKeyPCXJASANFWPUMO-UHFFFAOYSA-N
MW89.14 g/mol
LogP-0.07
Rot. Bonds2

About 1-(methylamino)propan-1-ol

1-(methylamino)propan-1-ol (PubChem CID 18461939) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is 1-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(methylamino)propan-1-ol
PubChem CID18461939
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name1-(methylamino)propan-1-ol
SMILESCCC(O)NC
InChIInChI=1S/C4H11NO/c1-3-4(6)5-2/h4-6H,3H2,1-2H3
InChIKeyPCXJASANFWPUMO-UHFFFAOYSA-N
XLogP-0.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(methylamino)propan-1-ol?
The IUPAC name of 1-(methylamino)propan-1-ol (CID 18461939) is 1-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(methylamino)propan-1-ol?
The canonical SMILES for 1-(methylamino)propan-1-ol is CCC(O)NC.
What is the InChIKey of 1-(methylamino)propan-1-ol?
The InChIKey is PCXJASANFWPUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO/c1-3-4(6)5-2/h4-6H,3H2,1-2H3.
What are the key properties of 1-(methylamino)propan-1-ol?
1-(methylamino)propan-1-ol has a molecular weight of 89.14 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propan-1-ol is sourced from PubChem (CID 18461939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).