2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol

C11H19N3O — CID 114629012

IUPAC2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol
SMILESCn1cncc1CNC1CC(O)C1(C)C
InChIInChI=1S/C11H19N3O/c1-11(2)9(4-10(11)15)13-6-8-5-12-7-14(8)3/h5,7,9-10,13,15H,4,6H2,1-3H3
InChIKeyCQUCUGAOVMUWEZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.67
Rot. Bonds3

About 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol

2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol (PubChem CID 114629012) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol
PubChem CID114629012
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol
SMILESCn1cncc1CNC1CC(O)C1(C)C
InChIInChI=1S/C11H19N3O/c1-11(2)9(4-10(11)15)13-6-8-5-12-7-14(8)3/h5,7,9-10,13,15H,4,6H2,1-3H3
InChIKeyCQUCUGAOVMUWEZ-UHFFFAOYSA-N
XLogP0.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol (CID 114629012) is 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol is Cn1cncc1CNC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol?
The InChIKey is CQUCUGAOVMUWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2)9(4-10(11)15)13-6-8-5-12-7-14(8)3/h5,7,9-10,13,15H,4,6H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methylimidazol-4-yl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 114629012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).