1-(propan-2-ylamino)propan-1-ol

C6H15NO — CID 20572331

IUPAC1-(propan-2-ylamino)propan-1-ol
SMILESCCC(O)NC(C)C
InChIInChI=1S/C6H15NO/c1-4-6(8)7-5(2)3/h5-8H,4H2,1-3H3
InChIKeyNTCQPXGIHQHHBC-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.71
Rot. Bonds3

About 1-(propan-2-ylamino)propan-1-ol

1-(propan-2-ylamino)propan-1-ol (PubChem CID 20572331) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)propan-1-ol
PubChem CID20572331
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1-(propan-2-ylamino)propan-1-ol
SMILESCCC(O)NC(C)C
InChIInChI=1S/C6H15NO/c1-4-6(8)7-5(2)3/h5-8H,4H2,1-3H3
InChIKeyNTCQPXGIHQHHBC-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.71
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-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 1-(propan-2-ylamino)propan-1-ol (CID 20572331) is 1-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(propan-2-ylamino)propan-1-ol is CCC(O)NC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)propan-1-ol?
The InChIKey is NTCQPXGIHQHHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-4-6(8)7-5(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)propan-1-ol?
1-(propan-2-ylamino)propan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 20572331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).