1-[3-(methylamino)butyl]-3-propylimidazol-2-one

C11H21N3O — CID 80581600

IUPAC1-[3-(methylamino)butyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCC(C)NC)c1=O
InChIInChI=1S/C11H21N3O/c1-4-6-13-8-9-14(11(13)15)7-5-10(2)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyZFLCBPPIFJLADU-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.06
Rot. Bonds6

About 1-[3-(methylamino)butyl]-3-propylimidazol-2-one

1-[3-(methylamino)butyl]-3-propylimidazol-2-one (PubChem CID 80581600) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[3-(methylamino)butyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)butyl]-3-propylimidazol-2-one
PubChem CID80581600
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[3-(methylamino)butyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCC(C)NC)c1=O
InChIInChI=1S/C11H21N3O/c1-4-6-13-8-9-14(11(13)15)7-5-10(2)12-3/h8-10,12H,4-7H2,1-3H3
InChIKeyZFLCBPPIFJLADU-UHFFFAOYSA-N
XLogP1.06
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)butyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[3-(methylamino)butyl]-3-propylimidazol-2-one (CID 80581600) is 1-[3-(methylamino)butyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[3-(methylamino)butyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[3-(methylamino)butyl]-3-propylimidazol-2-one is CCCn1ccn(CCC(C)NC)c1=O.
What is the InChIKey of 1-[3-(methylamino)butyl]-3-propylimidazol-2-one?
The InChIKey is ZFLCBPPIFJLADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-13-8-9-14(11(13)15)7-5-10(2)12-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[3-(methylamino)butyl]-3-propylimidazol-2-one?
1-[3-(methylamino)butyl]-3-propylimidazol-2-one has a molecular weight of 211.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)butyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80581600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).