(cyclobutylmethylamino)methanol

C6H13NO — CID 18706854

IUPAC(cyclobutylmethylamino)methanol
SMILESOCNCC1CCC1
InChIInChI=1S/C6H13NO/c8-5-7-4-6-2-1-3-6/h6-8H,1-5H2
InChIKeyQVVNVGPBMSNMHX-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.33
Rot. Bonds3

About (cyclobutylmethylamino)methanol

(cyclobutylmethylamino)methanol (PubChem CID 18706854) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (cyclobutylmethylamino)methanol.

Molecular Properties

Compound Name(cyclobutylmethylamino)methanol
PubChem CID18706854
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(cyclobutylmethylamino)methanol
SMILESOCNCC1CCC1
InChIInChI=1S/C6H13NO/c8-5-7-4-6-2-1-3-6/h6-8H,1-5H2
InChIKeyQVVNVGPBMSNMHX-UHFFFAOYSA-N
XLogP0.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclobutylmethylamino)methanol?
The IUPAC name of (cyclobutylmethylamino)methanol (CID 18706854) is (cyclobutylmethylamino)methanol.
What is the SMILES notation for (cyclobutylmethylamino)methanol?
The canonical SMILES for (cyclobutylmethylamino)methanol is OCNCC1CCC1.
What is the InChIKey of (cyclobutylmethylamino)methanol?
The InChIKey is QVVNVGPBMSNMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c8-5-7-4-6-2-1-3-6/h6-8H,1-5H2.
What are the key properties of (cyclobutylmethylamino)methanol?
(cyclobutylmethylamino)methanol has a molecular weight of 115.18 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclobutylmethylamino)methanol is sourced from PubChem (CID 18706854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).