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

C12H19N3O — CID 81133179

IUPAC3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1ccc(N)c(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C12H19N3O/c1-8-3-4-11(13)12(14-8)15(2)7-9-5-10(16)6-9/h3-4,9-10,16H,5-7,13H2,1-2H3
InChIKeySZOVMENWHRCDKE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.18
Rot. Bonds3

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

3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol (PubChem CID 81133179) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
PubChem CID81133179
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
SMILESCc1ccc(N)c(N(C)CC2CC(O)C2)n1
InChIInChI=1S/C12H19N3O/c1-8-3-4-11(13)12(14-8)15(2)7-9-5-10(16)6-9/h3-4,9-10,16H,5-7,13H2,1-2H3
InChIKeySZOVMENWHRCDKE-UHFFFAOYSA-N
XLogP1.18
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol (CID 81133179) is 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol is Cc1ccc(N)c(N(C)CC2CC(O)C2)n1.
What is the InChIKey of 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is SZOVMENWHRCDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-3-4-11(13)12(14-8)15(2)7-9-5-10(16)6-9/h3-4,9-10,16H,5-7,13H2,1-2H3.
What are the key properties of 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol?
3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-6-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 81133179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).