(1-aminocyclobutyl)methanol;methane

C6H15NO — CID 158712269

IUPAC(1-aminocyclobutyl)methanol;methane
SMILESC.NC1(CO)CCC1
InChIInChI=1S/C5H11NO.CH4/c6-5(4-7)2-1-3-5;/h7H,1-4,6H2;1H4
InChIKeyIIWKHAQAKPNGGY-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.50
Rot. Bonds1

About (1-aminocyclobutyl)methanol;methane

(1-aminocyclobutyl)methanol;methane (PubChem CID 158712269) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (1-aminocyclobutyl)methanol;methane.

Molecular Properties

Compound Name(1-aminocyclobutyl)methanol;methane
PubChem CID158712269
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(1-aminocyclobutyl)methanol;methane
SMILESC.NC1(CO)CCC1
InChIInChI=1S/C5H11NO.CH4/c6-5(4-7)2-1-3-5;/h7H,1-4,6H2;1H4
InChIKeyIIWKHAQAKPNGGY-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclobutyl)methanol;methane?
The IUPAC name of (1-aminocyclobutyl)methanol;methane (CID 158712269) is (1-aminocyclobutyl)methanol;methane.
What is the SMILES notation for (1-aminocyclobutyl)methanol;methane?
The canonical SMILES for (1-aminocyclobutyl)methanol;methane is C.NC1(CO)CCC1.
What is the InChIKey of (1-aminocyclobutyl)methanol;methane?
The InChIKey is IIWKHAQAKPNGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH4/c6-5(4-7)2-1-3-5;/h7H,1-4,6H2;1H4.
What are the key properties of (1-aminocyclobutyl)methanol;methane?
(1-aminocyclobutyl)methanol;methane has a molecular weight of 117.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclobutyl)methanol;methane is sourced from PubChem (CID 158712269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).