1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one

C11H23N3O — CID 116978849

IUPAC1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one
SMILESCCCC1CN(CCC(C)(C)N)C(=O)N1
InChIInChI=1S/C11H23N3O/c1-4-5-9-8-14(10(15)13-9)7-6-11(2,3)12/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyDOXASMTVPRBJAA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.31
Rot. Bonds5

About 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one

1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one (PubChem CID 116978849) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one
PubChem CID116978849
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one
SMILESCCCC1CN(CCC(C)(C)N)C(=O)N1
InChIInChI=1S/C11H23N3O/c1-4-5-9-8-14(10(15)13-9)7-6-11(2,3)12/h9H,4-8,12H2,1-3H3,(H,13,15)
InChIKeyDOXASMTVPRBJAA-UHFFFAOYSA-N
XLogP1.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one?
The IUPAC name of 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one (CID 116978849) is 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one?
The canonical SMILES for 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one is CCCC1CN(CCC(C)(C)N)C(=O)N1.
What is the InChIKey of 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one?
The InChIKey is DOXASMTVPRBJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-5-9-8-14(10(15)13-9)7-6-11(2,3)12/h9H,4-8,12H2,1-3H3,(H,13,15).
What are the key properties of 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one?
1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutyl)-4-propylimidazolidin-2-one is sourced from PubChem (CID 116978849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).