[1-(aminomethyl)cyclobutyl]methanol

C6H13NO — CID 22639984

IUPAC[1-(aminomethyl)cyclobutyl]methanol
SMILESNCC1(CO)CCC1
InChIInChI=1S/C6H13NO/c7-4-6(5-8)2-1-3-6/h8H,1-5,7H2
InChIKeyZDGSQIAVDXICTE-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.11
Rot. Bonds2

About [1-(aminomethyl)cyclobutyl]methanol

[1-(aminomethyl)cyclobutyl]methanol (PubChem CID 22639984) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]methanol
PubChem CID22639984
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[1-(aminomethyl)cyclobutyl]methanol
SMILESNCC1(CO)CCC1
InChIInChI=1S/C6H13NO/c7-4-6(5-8)2-1-3-6/h8H,1-5,7H2
InChIKeyZDGSQIAVDXICTE-UHFFFAOYSA-N
XLogP0.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]methanol (CID 22639984) is [1-(aminomethyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]methanol is NCC1(CO)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]methanol?
The InChIKey is ZDGSQIAVDXICTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c7-4-6(5-8)2-1-3-6/h8H,1-5,7H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]methanol?
[1-(aminomethyl)cyclobutyl]methanol has a molecular weight of 115.18 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]methanol is sourced from PubChem (CID 22639984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).