[3-(aminomethyl)cyclobutyl]methanol

C6H13NO — CID 74892108

IUPAC[3-(aminomethyl)cyclobutyl]methanol
SMILESNCC1CC(CO)C1
InChIInChI=1S/C6H13NO/c7-3-5-1-6(2-5)4-8/h5-6,8H,1-4,7H2
InChIKeyMWOHKMZOEUQKBH-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.04
Rot. Bonds2

About [3-(aminomethyl)cyclobutyl]methanol

[3-(aminomethyl)cyclobutyl]methanol (PubChem CID 74892108) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [3-(aminomethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)cyclobutyl]methanol
PubChem CID74892108
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[3-(aminomethyl)cyclobutyl]methanol
SMILESNCC1CC(CO)C1
InChIInChI=1S/C6H13NO/c7-3-5-1-6(2-5)4-8/h5-6,8H,1-4,7H2
InChIKeyMWOHKMZOEUQKBH-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)cyclobutyl]methanol?
The IUPAC name of [3-(aminomethyl)cyclobutyl]methanol (CID 74892108) is [3-(aminomethyl)cyclobutyl]methanol.
What is the SMILES notation for [3-(aminomethyl)cyclobutyl]methanol?
The canonical SMILES for [3-(aminomethyl)cyclobutyl]methanol is NCC1CC(CO)C1.
What is the InChIKey of [3-(aminomethyl)cyclobutyl]methanol?
The InChIKey is MWOHKMZOEUQKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c7-3-5-1-6(2-5)4-8/h5-6,8H,1-4,7H2.
What are the key properties of [3-(aminomethyl)cyclobutyl]methanol?
[3-(aminomethyl)cyclobutyl]methanol has a molecular weight of 115.18 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)cyclobutyl]methanol is sourced from PubChem (CID 74892108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).