[3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate

C16H29N3O2 — CID 91405207

IUPAC[3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate
SMILESCn1cnc(CC(OC(=O)C(C)(C)C)C(N)C(C)(C)C)c1
InChIInChI=1S/C16H29N3O2/c1-15(2,3)13(17)12(21-14(20)16(4,5)6)8-11-9-19(7)10-18-11/h9-10,12-13H,8,17H2,1-7H3
InChIKeyHYMMNIUTGKCLRT-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.29
Rot. Bonds4

About [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate

[3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate (PubChem CID 91405207) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate
PubChem CID91405207
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate
SMILESCn1cnc(CC(OC(=O)C(C)(C)C)C(N)C(C)(C)C)c1
InChIInChI=1S/C16H29N3O2/c1-15(2,3)13(17)12(21-14(20)16(4,5)6)8-11-9-19(7)10-18-11/h9-10,12-13H,8,17H2,1-7H3
InChIKeyHYMMNIUTGKCLRT-UHFFFAOYSA-N
XLogP2.29
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate (CID 91405207) is [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate is Cn1cnc(CC(OC(=O)C(C)(C)C)C(N)C(C)(C)C)c1.
What is the InChIKey of [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate?
The InChIKey is HYMMNIUTGKCLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-15(2,3)13(17)12(21-14(20)16(4,5)6)8-11-9-19(7)10-18-11/h9-10,12-13H,8,17H2,1-7H3.
What are the key properties of [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate?
[3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate has a molecular weight of 295.43 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4,4-dimethyl-1-(1-methylimidazol-4-yl)pentan-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 91405207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).