3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol

C14H23N3O — CID 80856494

IUPAC3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cccc(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C14H23N3O/c1-3-7-15-13-5-4-6-14(16-13)17(2)10-11-8-12(18)9-11/h4-6,11-12,18H,3,7-10H2,1-2H3,(H,15,16)
InChIKeyXDNBEEMLVGQONM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.11
Rot. Bonds6

About 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol

3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol (PubChem CID 80856494) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
PubChem CID80856494
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
SMILESCCCNc1cccc(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C14H23N3O/c1-3-7-15-13-5-4-6-14(16-13)17(2)10-11-8-12(18)9-11/h4-6,11-12,18H,3,7-10H2,1-2H3,(H,15,16)
InChIKeyXDNBEEMLVGQONM-UHFFFAOYSA-N
XLogP2.11
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol (CID 80856494) is 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol is CCCNc1cccc(N(C)CC2CC(O)C2)n1.
What is the InChIKey of 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
The InChIKey is XDNBEEMLVGQONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-7-15-13-5-4-6-14(16-13)17(2)10-11-8-12(18)9-11/h4-6,11-12,18H,3,7-10H2,1-2H3,(H,15,16).
What are the key properties of 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol?
3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 80856494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).