4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one

C8H15N3O — CID 84731798

IUPAC4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
SMILESCC(C)c1[nH]c(=O)[nH]c1CCN
InChIInChI=1S/C8H15N3O/c1-5(2)7-6(3-4-9)10-8(12)11-7/h5H,3-4,9H2,1-2H3,(H2,10,11,12)
InChIKeyYJNIVXBXRBTNCQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.33
Rot. Bonds3

About 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one

4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one (PubChem CID 84731798) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
PubChem CID84731798
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
SMILESCC(C)c1[nH]c(=O)[nH]c1CCN
InChIInChI=1S/C8H15N3O/c1-5(2)7-6(3-4-9)10-8(12)11-7/h5H,3-4,9H2,1-2H3,(H2,10,11,12)
InChIKeyYJNIVXBXRBTNCQ-UHFFFAOYSA-N
XLogP0.33
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one (CID 84731798) is 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one is CC(C)c1[nH]c(=O)[nH]c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one?
The InChIKey is YJNIVXBXRBTNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)7-6(3-4-9)10-8(12)11-7/h5H,3-4,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one?
4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84731798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).