2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol

C14H23N3O2 — CID 106103441

IUPAC2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol
SMILESCCCNc1cncc(NCC2(O)CCOC2C)c1
InChIInChI=1S/C14H23N3O2/c1-3-5-16-12-7-13(9-15-8-12)17-10-14(18)4-6-19-11(14)2/h7-9,11,16-18H,3-6,10H2,1-2H3
InChIKeyILXIRFOEIPFBHJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.86
Rot. Bonds6

About 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol

2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol (PubChem CID 106103441) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol
PubChem CID106103441
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol
SMILESCCCNc1cncc(NCC2(O)CCOC2C)c1
InChIInChI=1S/C14H23N3O2/c1-3-5-16-12-7-13(9-15-8-12)17-10-14(18)4-6-19-11(14)2/h7-9,11,16-18H,3-6,10H2,1-2H3
InChIKeyILXIRFOEIPFBHJ-UHFFFAOYSA-N
XLogP1.86
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol (CID 106103441) is 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol is CCCNc1cncc(NCC2(O)CCOC2C)c1.
What is the InChIKey of 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol?
The InChIKey is ILXIRFOEIPFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-5-16-12-7-13(9-15-8-12)17-10-14(18)4-6-19-11(14)2/h7-9,11,16-18H,3-6,10H2,1-2H3.
What are the key properties of 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol?
2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol has a molecular weight of 265.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[[5-(propylamino)-3-pyridinyl]amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106103441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).