1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one

C11H23N3O — CID 62492199

IUPAC1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one
SMILESCCCNC(C)CCN1CCN(C)C1=O
InChIInChI=1S/C11H23N3O/c1-4-6-12-10(2)5-7-14-9-8-13(3)11(14)15/h10,12H,4-9H2,1-3H3
InChIKeyYJVRFJMWFNTSTB-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.13
Rot. Bonds6

About 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one

1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one (PubChem CID 62492199) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one
PubChem CID62492199
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one
SMILESCCCNC(C)CCN1CCN(C)C1=O
InChIInChI=1S/C11H23N3O/c1-4-6-12-10(2)5-7-14-9-8-13(3)11(14)15/h10,12H,4-9H2,1-3H3
InChIKeyYJVRFJMWFNTSTB-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one (CID 62492199) is 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one is CCCNC(C)CCN1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one?
The InChIKey is YJVRFJMWFNTSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-6-12-10(2)5-7-14-9-8-13(3)11(14)15/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one?
1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one has a molecular weight of 213.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(propylamino)butyl]imidazolidin-2-one is sourced from PubChem (CID 62492199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).