[(1-methylcyclobutyl)amino]methanol

C6H13NO — CID 177038189

IUPAC[(1-methylcyclobutyl)amino]methanol
SMILESCC1(NCO)CCC1
InChIInChI=1S/C6H13NO/c1-6(7-5-8)3-2-4-6/h7-8H,2-5H2,1H3
InChIKeyLLBSXDVELDCCLV-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.47
Rot. Bonds2

About [(1-methylcyclobutyl)amino]methanol

[(1-methylcyclobutyl)amino]methanol (PubChem CID 177038189) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(1-methylcyclobutyl)amino]methanol.

Molecular Properties

Compound Name[(1-methylcyclobutyl)amino]methanol
PubChem CID177038189
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(1-methylcyclobutyl)amino]methanol
SMILESCC1(NCO)CCC1
InChIInChI=1S/C6H13NO/c1-6(7-5-8)3-2-4-6/h7-8H,2-5H2,1H3
InChIKeyLLBSXDVELDCCLV-UHFFFAOYSA-N
XLogP0.47
TPSA32.26 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 ≤ 50.47
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 [(1-methylcyclobutyl)amino]methanol?
The IUPAC name of [(1-methylcyclobutyl)amino]methanol (CID 177038189) is [(1-methylcyclobutyl)amino]methanol.
What is the SMILES notation for [(1-methylcyclobutyl)amino]methanol?
The canonical SMILES for [(1-methylcyclobutyl)amino]methanol is CC1(NCO)CCC1.
What is the InChIKey of [(1-methylcyclobutyl)amino]methanol?
The InChIKey is LLBSXDVELDCCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(7-5-8)3-2-4-6/h7-8H,2-5H2,1H3.
What are the key properties of [(1-methylcyclobutyl)amino]methanol?
[(1-methylcyclobutyl)amino]methanol has a molecular weight of 115.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylcyclobutyl)amino]methanol is sourced from PubChem (CID 177038189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).