1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol

C15H21N3O2 — CID 10778795

IUPAC1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol
SMILESOC(CNc1ccccn1)CON=C(C1CC1)C1CC1
InChIInChI=1S/C15H21N3O2/c19-13(9-17-14-3-1-2-8-16-14)10-20-18-15(11-4-5-11)12-6-7-12/h1-3,8,11-13,19H,4-7,9-10H2,(H,16,17)
InChIKeyDJGNUIYWRRODTA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.05
Rot. Bonds8

About 1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol

1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol (PubChem CID 10778795) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol
PubChem CID10778795
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol
SMILESOC(CNc1ccccn1)CON=C(C1CC1)C1CC1
InChIInChI=1S/C15H21N3O2/c19-13(9-17-14-3-1-2-8-16-14)10-20-18-15(11-4-5-11)12-6-7-12/h1-3,8,11-13,19H,4-7,9-10H2,(H,16,17)
InChIKeyDJGNUIYWRRODTA-UHFFFAOYSA-N
XLogP2.05
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.05
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-(pyridin-2-ylamino)propan-2-ol?
The IUPAC name of 1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol (CID 10778795) is 1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol is OC(CNc1ccccn1)CON=C(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol?
The InChIKey is DJGNUIYWRRODTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-13(9-17-14-3-1-2-8-16-14)10-20-18-15(11-4-5-11)12-6-7-12/h1-3,8,11-13,19H,4-7,9-10H2,(H,16,17).
What are the key properties of 1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol?
1-(dicyclopropylmethylideneamino)oxy-3-(pyridin-2-ylamino)propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 2.05, 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-(pyridin-2-ylamino)propan-2-ol is sourced from PubChem (CID 10778795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).