1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol

C13H20N2O — CID 103563985

IUPAC1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(Cc2cccnc2N)C1
InChIInChI=1S/C13H20N2O/c1-9(2)11-7-13(16,8-11)6-10-4-3-5-15-12(10)14/h3-5,9,11,16H,6-8H2,1-2H3,(H2,14,15)
InChIKeyQBWFIJAFLOJBNZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.00
Rot. Bonds3

About 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol

1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol (PubChem CID 103563985) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol
PubChem CID103563985
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol
SMILESCC(C)C1CC(O)(Cc2cccnc2N)C1
InChIInChI=1S/C13H20N2O/c1-9(2)11-7-13(16,8-11)6-10-4-3-5-15-12(10)14/h3-5,9,11,16H,6-8H2,1-2H3,(H2,14,15)
InChIKeyQBWFIJAFLOJBNZ-UHFFFAOYSA-N
XLogP2.00
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol (CID 103563985) is 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol is CC(C)C1CC(O)(Cc2cccnc2N)C1.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol?
The InChIKey is QBWFIJAFLOJBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)11-7-13(16,8-11)6-10-4-3-5-15-12(10)14/h3-5,9,11,16H,6-8H2,1-2H3,(H2,14,15).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol?
1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]-3-propan-2-ylcyclobutan-1-ol is sourced from PubChem (CID 103563985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).