1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol

C16H23N3O2 — CID 10835117

IUPAC1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccnc(NCC(O)CON=C(C2CC2)C2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-11-6-7-17-15(8-11)18-9-14(20)10-21-19-16(12-2-3-12)13-4-5-13/h6-8,12-14,20H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyFZXIMNBELHTUKV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds8

About 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol

1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol (PubChem CID 10835117) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol
PubChem CID10835117
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccnc(NCC(O)CON=C(C2CC2)C2CC2)c1
InChIInChI=1S/C16H23N3O2/c1-11-6-7-17-15(8-11)18-9-14(20)10-21-19-16(12-2-3-12)13-4-5-13/h6-8,12-14,20H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyFZXIMNBELHTUKV-UHFFFAOYSA-N
XLogP2.36
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol (CID 10835117) is 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol is Cc1ccnc(NCC(O)CON=C(C2CC2)C2CC2)c1.
What is the InChIKey of 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol?
The InChIKey is FZXIMNBELHTUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-6-7-17-15(8-11)18-9-14(20)10-21-19-16(12-2-3-12)13-4-5-13/h6-8,12-14,20H,2-5,9-10H2,1H3,(H,17,18).
What are the key properties of 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol?
1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethylideneamino)oxy-3-[(4-methyl-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 10835117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).