5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one

C14H29N3O — CID 83250007

IUPAC5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
SMILESCCCCC1NCN(C(C)CN(CC)CC)C1=O
InChIInChI=1S/C14H29N3O/c1-5-8-9-13-14(18)17(11-15-13)12(4)10-16(6-2)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyNSJJOBXTSZRPPS-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.66
Rot. Bonds8

About 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one

5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one (PubChem CID 83250007) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
PubChem CID83250007
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one
SMILESCCCCC1NCN(C(C)CN(CC)CC)C1=O
InChIInChI=1S/C14H29N3O/c1-5-8-9-13-14(18)17(11-15-13)12(4)10-16(6-2)7-3/h12-13,15H,5-11H2,1-4H3
InChIKeyNSJJOBXTSZRPPS-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one?
The IUPAC name of 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one (CID 83250007) is 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one?
The canonical SMILES for 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one is CCCCC1NCN(C(C)CN(CC)CC)C1=O.
What is the InChIKey of 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one?
The InChIKey is NSJJOBXTSZRPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-8-9-13-14(18)17(11-15-13)12(4)10-16(6-2)7-3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one?
5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one has a molecular weight of 255.41 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[1-(diethylamino)propan-2-yl]imidazolidin-4-one is sourced from PubChem (CID 83250007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).