1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol

C16H23N3O2 — CID 10520137

IUPAC1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccc(NCC(O)CON=C(C2CC2)C2CC2)nc1
InChIInChI=1S/C16H23N3O2/c1-11-2-7-15(17-8-11)18-9-14(20)10-21-19-16(12-3-4-12)13-5-6-13/h2,7-8,12-14,20H,3-6,9-10H2,1H3,(H,17,18)
InChIKeyPFVWZGCVLFKNET-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds8

About 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol

1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol (PubChem CID 10520137) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol
PubChem CID10520137
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol
SMILESCc1ccc(NCC(O)CON=C(C2CC2)C2CC2)nc1
InChIInChI=1S/C16H23N3O2/c1-11-2-7-15(17-8-11)18-9-14(20)10-21-19-16(12-3-4-12)13-5-6-13/h2,7-8,12-14,20H,3-6,9-10H2,1H3,(H,17,18)
InChIKeyPFVWZGCVLFKNET-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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Related Compounds

Dicyclopropyl-methanone O-[2-hydroxy-3-(pyridin-4-ylamino)-propyl]-oxime
CID 10636130
Dicyclopropyl-methanone O-[2-hydroxy-3-(pyridin-2-ylamino)-propyl]-oxime
CID 10778795
Dicyclopropyl-methanone O-[2-hydroxy-3-(4-methyl-pyridin-2-ylamino)-propyl]-oxime
CID 10835117
Dicyclopropyl-methanone O-[2-hydroxy-3-(6-methyl-pyridin-2-ylamino)-propyl]-oxime
CID 10520135
1-{[5-(Trifluoromethyl)-2-pyridinyl]amino}-2-propanol
CID 2985764
2-[(4-Methyl-1,2-dihydropyridin-2-ylidene)amino]ethan-1-ol
CID 23551621
rac-(3S,4S)-4-isopropoxy-1-{[2-(methylamino)pyridin-3-yl]methyl}pyrrolidin-3-ol
CID 124210173
2-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylamino]pyridine-3-carbonitrile
CID 164639828
4-[[5-(Trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 57508125
3-[[4-[(2E,4Z,6Z)-1-(4-fluorophenyl)-1-imino-3-methylocta-2,4,6-trien-2-yl]-2-pyridinyl]amino]propan-1-ol
CID 142174320
2-[[4-[(2E,4Z,6Z)-1-(4-fluorophenyl)-1-imino-3-methylocta-2,4,6-trien-2-yl]-2-pyridinyl]amino]ethanol
CID 142174330
1-[[5-[(1E,4Z)-6-(dimethylamino)-3-methylidenehepta-1,4,6-trienyl]-2-pyridinyl]amino]-4-fluorobutane-2,3-diol
CID 145543513

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol (CID 10520137) is 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol is Cc1ccc(NCC(O)CON=C(C2CC2)C2CC2)nc1.
What is the InChIKey of 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol?
The InChIKey is PFVWZGCVLFKNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-2-7-15(17-8-11)18-9-14(20)10-21-19-16(12-3-4-12)13-5-6-13/h2,7-8,12-14,20H,3-6,9-10H2,1H3,(H,17,18).
What are the key properties of 1-(dicyclopropylmethylideneamino)oxy-3-[(5-methyl-2-pyridinyl)amino]propan-2-ol?
1-(dicyclopropylmethylideneamino)oxy-3-[(5-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-[(5-methyl-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 10520137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).