[1-(1-amino-2-methylpropyl)cyclobutyl]methanol

C9H19NO — CID 112756727

IUPAC[1-(1-amino-2-methylpropyl)cyclobutyl]methanol
SMILESCC(C)C(N)C1(CO)CCC1
InChIInChI=1S/C9H19NO/c1-7(2)8(10)9(6-11)4-3-5-9/h7-8,11H,3-6,10H2,1-2H3
InChIKeySWHGGGURSFRRNJ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.13
Rot. Bonds3

About [1-(1-amino-2-methylpropyl)cyclobutyl]methanol

[1-(1-amino-2-methylpropyl)cyclobutyl]methanol (PubChem CID 112756727) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [1-(1-amino-2-methylpropyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(1-amino-2-methylpropyl)cyclobutyl]methanol
PubChem CID112756727
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[1-(1-amino-2-methylpropyl)cyclobutyl]methanol
SMILESCC(C)C(N)C1(CO)CCC1
InChIInChI=1S/C9H19NO/c1-7(2)8(10)9(6-11)4-3-5-9/h7-8,11H,3-6,10H2,1-2H3
InChIKeySWHGGGURSFRRNJ-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1-amino-2-methylpropyl)cyclobutyl]methanol?
The IUPAC name of [1-(1-amino-2-methylpropyl)cyclobutyl]methanol (CID 112756727) is [1-(1-amino-2-methylpropyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(1-amino-2-methylpropyl)cyclobutyl]methanol?
The canonical SMILES for [1-(1-amino-2-methylpropyl)cyclobutyl]methanol is CC(C)C(N)C1(CO)CCC1.
What is the InChIKey of [1-(1-amino-2-methylpropyl)cyclobutyl]methanol?
The InChIKey is SWHGGGURSFRRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)8(10)9(6-11)4-3-5-9/h7-8,11H,3-6,10H2,1-2H3.
What are the key properties of [1-(1-amino-2-methylpropyl)cyclobutyl]methanol?
[1-(1-amino-2-methylpropyl)cyclobutyl]methanol has a molecular weight of 157.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-amino-2-methylpropyl)cyclobutyl]methanol is sourced from PubChem (CID 112756727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).