3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol

C13H21N3O — CID 113367923

IUPAC3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cc(NCC2CC(O)C2)ccn1
InChIInChI=1S/C13H21N3O/c1-2-4-14-13-8-11(3-5-15-13)16-9-10-6-12(17)7-10/h3,5,8,10,12,17H,2,4,6-7,9H2,1H3,(H2,14,15,16)
InChIKeyMVBFYJMGQAQJFO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.09
Rot. Bonds6

About 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol

3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol (PubChem CID 113367923) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol
PubChem CID113367923
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cc(NCC2CC(O)C2)ccn1
InChIInChI=1S/C13H21N3O/c1-2-4-14-13-8-11(3-5-15-13)16-9-10-6-12(17)7-10/h3,5,8,10,12,17H,2,4,6-7,9H2,1H3,(H2,14,15,16)
InChIKeyMVBFYJMGQAQJFO-UHFFFAOYSA-N
XLogP2.09
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol (CID 113367923) is 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol is CCCNc1cc(NCC2CC(O)C2)ccn1.
What is the InChIKey of 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is MVBFYJMGQAQJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-4-14-13-8-11(3-5-15-13)16-9-10-6-12(17)7-10/h3,5,8,10,12,17H,2,4,6-7,9H2,1H3,(H2,14,15,16).
What are the key properties of 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol?
3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(propylamino)-4-pyridinyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 113367923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).