4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol

C11H24N2O — CID 79355418

IUPAC4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)O)CC1CC(N)C1
InChIInChI=1S/C11H24N2O/c1-11(2,14)4-5-13(3)8-9-6-10(12)7-9/h9-10,14H,4-8,12H2,1-3H3
InChIKeyQZECFPQTJZHMIJ-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.82
Rot. Bonds5

About 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol

4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol (PubChem CID 79355418) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol
PubChem CID79355418
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol
SMILESCN(CCC(C)(C)O)CC1CC(N)C1
InChIInChI=1S/C11H24N2O/c1-11(2,14)4-5-13(3)8-9-6-10(12)7-9/h9-10,14H,4-8,12H2,1-3H3
InChIKeyQZECFPQTJZHMIJ-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol (CID 79355418) is 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol is CN(CCC(C)(C)O)CC1CC(N)C1.
What is the InChIKey of 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol?
The InChIKey is QZECFPQTJZHMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,14)4-5-13(3)8-9-6-10(12)7-9/h9-10,14H,4-8,12H2,1-3H3.
What are the key properties of 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol?
4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclobutyl)methyl-methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79355418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).