[1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol

C11H16N2O — CID 116944254

IUPAC[1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol
SMILESNC(c1ccncc1)C1(CO)CCC1
InChIInChI=1S/C11H16N2O/c12-10(9-2-6-13-7-3-9)11(8-14)4-1-5-11/h2-3,6-7,10,14H,1,4-5,8,12H2
InChIKeyWHUXJAGHBHOAPU-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.24
Rot. Bonds3

About [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol

[1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol (PubChem CID 116944254) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol
PubChem CID116944254
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name[1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol
SMILESNC(c1ccncc1)C1(CO)CCC1
InChIInChI=1S/C11H16N2O/c12-10(9-2-6-13-7-3-9)11(8-14)4-1-5-11/h2-3,6-7,10,14H,1,4-5,8,12H2
InChIKeyWHUXJAGHBHOAPU-UHFFFAOYSA-N
XLogP1.24
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol (CID 116944254) is [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol is NC(c1ccncc1)C1(CO)CCC1.
What is the InChIKey of [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol?
The InChIKey is WHUXJAGHBHOAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10(9-2-6-13-7-3-9)11(8-14)4-1-5-11/h2-3,6-7,10,14H,1,4-5,8,12H2.
What are the key properties of [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol?
[1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[amino(pyridin-4-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).