1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine

C15H26BN3O2 — CID 172644243

IUPAC1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
SMILESCN(C)c1nc(B2OC(C)(C)C(C)(C)O2)cn1C1CCC1
InChIInChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)12-10-19(11-8-7-9-11)13(17-12)18(5)6/h10-11H,7-9H2,1-6H3
InChIKeyXTNVWWDWCZWINM-UHFFFAOYSA-N
MW291.20 g/mol
LogP1.97
Rot. Bonds3

About 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine

1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine (PubChem CID 172644243) has the molecular formula C15H26BN3O2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
PubChem CID172644243
Molecular FormulaC15H26BN3O2
Molecular Weight291.20 g/mol
Exact Mass291.21
IUPAC Name1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
SMILESCN(C)c1nc(B2OC(C)(C)C(C)(C)O2)cn1C1CCC1
InChIInChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)12-10-19(11-8-7-9-11)13(17-12)18(5)6/h10-11H,7-9H2,1-6H3
InChIKeyXTNVWWDWCZWINM-UHFFFAOYSA-N
XLogP1.97
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine?
The IUPAC name of 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine (CID 172644243) is 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine is CN(C)c1nc(B2OC(C)(C)C(C)(C)O2)cn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine?
The InChIKey is XTNVWWDWCZWINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BN3O2/c1-14(2)15(3,4)21-16(20-14)12-10-19(11-8-7-9-11)13(17-12)18(5)6/h10-11H,7-9H2,1-6H3.
What are the key properties of 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine?
1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine has a molecular weight of 291.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine is sourced from PubChem (CID 172644243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).