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

C10H14N2O — CID 79081595

IUPAC1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol
SMILESNc1ncccc1CC1(O)CCC1
InChIInChI=1S/C10H14N2O/c11-9-8(3-1-6-12-9)7-10(13)4-2-5-10/h1,3,6,13H,2,4-5,7H2,(H2,11,12)
InChIKeyWQQBUEFKABWRQU-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.12
Rot. Bonds2

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

1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol (PubChem CID 79081595) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol
PubChem CID79081595
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol
SMILESNc1ncccc1CC1(O)CCC1
InChIInChI=1S/C10H14N2O/c11-9-8(3-1-6-12-9)7-10(13)4-2-5-10/h1,3,6,13H,2,4-5,7H2,(H2,11,12)
InChIKeyWQQBUEFKABWRQU-UHFFFAOYSA-N
XLogP1.12
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.12
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]cyclobutan-1-ol?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol (CID 79081595) is 1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol is Nc1ncccc1CC1(O)CCC1.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol?
The InChIKey is WQQBUEFKABWRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-9-8(3-1-6-12-9)7-10(13)4-2-5-10/h1,3,6,13H,2,4-5,7H2,(H2,11,12).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol?
1-[(2-amino-3-pyridinyl)methyl]cyclobutan-1-ol has a molecular weight of 178.24 g/mol, XLogP of 1.12, 2 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]cyclobutan-1-ol is sourced from PubChem (CID 79081595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).