1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol

C7H15N3O — CID 129170964

IUPAC1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol
SMILESC=C(C)N(CC(C)O)/N=N/C
InChIInChI=1S/C7H15N3O/c1-6(2)10(9-8-4)5-7(3)11/h7,11H,1,5H2,2-4H3/b9-8+
InChIKeyYOZKMPRYTIASJT-CMDGGOBGSA-N
MW157.22 g/mol
LogP1.20
Rot. Bonds4

About 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol

1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol (PubChem CID 129170964) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol
PubChem CID129170964
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol
SMILESC=C(C)N(CC(C)O)/N=N/C
InChIInChI=1S/C7H15N3O/c1-6(2)10(9-8-4)5-7(3)11/h7,11H,1,5H2,2-4H3/b9-8+
InChIKeyYOZKMPRYTIASJT-CMDGGOBGSA-N
XLogP1.20
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol?
The IUPAC name of 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol (CID 129170964) is 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol is C=C(C)N(CC(C)O)/N=N/C.
What is the InChIKey of 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol?
The InChIKey is YOZKMPRYTIASJT-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H15N3O/c1-6(2)10(9-8-4)5-7(3)11/h7,11H,1,5H2,2-4H3/b9-8+.
What are the key properties of 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol?
1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol has a molecular weight of 157.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(methyldiazenyl)-prop-1-en-2-ylamino]propan-2-ol is sourced from PubChem (CID 129170964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).