1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one

C12H25N3O — CID 62489952

IUPAC1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one
SMILESCCNC(CN1CCN(C)C1=O)C(C)(C)C
InChIInChI=1S/C12H25N3O/c1-6-13-10(12(2,3)4)9-15-8-7-14(5)11(15)16/h10,13H,6-9H2,1-5H3
InChIKeyUJKYNMXZRQYHDE-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.38
Rot. Bonds4

About 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one

1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one (PubChem CID 62489952) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one
PubChem CID62489952
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one
SMILESCCNC(CN1CCN(C)C1=O)C(C)(C)C
InChIInChI=1S/C12H25N3O/c1-6-13-10(12(2,3)4)9-15-8-7-14(5)11(15)16/h10,13H,6-9H2,1-5H3
InChIKeyUJKYNMXZRQYHDE-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one (CID 62489952) is 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one is CCNC(CN1CCN(C)C1=O)C(C)(C)C.
What is the InChIKey of 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one?
The InChIKey is UJKYNMXZRQYHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-6-13-10(12(2,3)4)9-15-8-7-14(5)11(15)16/h10,13H,6-9H2,1-5H3.
What are the key properties of 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one?
1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one has a molecular weight of 227.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)-3,3-dimethylbutyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62489952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).