1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one

C11H21N3O2 — CID 115475868

IUPAC1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
SMILESCn1ccn(CC(O)CNC(C)(C)C)c1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,3)12-7-9(15)8-14-6-5-13(4)10(14)16/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyRULNKRXWPKXIAO-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.06
Rot. Bonds4

About 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one

1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one (PubChem CID 115475868) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
PubChem CID115475868
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
SMILESCn1ccn(CC(O)CNC(C)(C)C)c1=O
InChIInChI=1S/C11H21N3O2/c1-11(2,3)12-7-9(15)8-14-6-5-13(4)10(14)16/h5-6,9,12,15H,7-8H2,1-4H3
InChIKeyRULNKRXWPKXIAO-UHFFFAOYSA-N
XLogP-0.06
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one (CID 115475868) is 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one is Cn1ccn(CC(O)CNC(C)(C)C)c1=O.
What is the InChIKey of 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one?
The InChIKey is RULNKRXWPKXIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)12-7-9(15)8-14-6-5-13(4)10(14)16/h5-6,9,12,15H,7-8H2,1-4H3.
What are the key properties of 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one?
1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one is sourced from PubChem (CID 115475868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).