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

C10H21N3O — CID 116978689

IUPAC1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one
SMILESCCCC1CN(CC(C)CN)C(=O)N1
InChIInChI=1S/C10H21N3O/c1-3-4-9-7-13(10(14)12-9)6-8(2)5-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyPRMHOXLAXSZQJS-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.78
Rot. Bonds5

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

1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one (PubChem CID 116978689) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one
PubChem CID116978689
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one
SMILESCCCC1CN(CC(C)CN)C(=O)N1
InChIInChI=1S/C10H21N3O/c1-3-4-9-7-13(10(14)12-9)6-8(2)5-11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyPRMHOXLAXSZQJS-UHFFFAOYSA-N
XLogP0.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one (CID 116978689) is 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one is CCCC1CN(CC(C)CN)C(=O)N1.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one?
The InChIKey is PRMHOXLAXSZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-4-9-7-13(10(14)12-9)6-8(2)5-11/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one?
1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one has a molecular weight of 199.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-4-propylimidazolidin-2-one is sourced from PubChem (CID 116978689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).