1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one

C9H17N3O — CID 80579639

IUPAC1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCN)c1=O
InChIInChI=1S/C9H17N3O/c1-8(2)12-7-6-11(9(12)13)5-3-4-10/h6-8H,3-5,10H2,1-2H3
InChIKeySSMIFDOESQDGPZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.58
Rot. Bonds4

About 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one

1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one (PubChem CID 80579639) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one
PubChem CID80579639
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCN)c1=O
InChIInChI=1S/C9H17N3O/c1-8(2)12-7-6-11(9(12)13)5-3-4-10/h6-8H,3-5,10H2,1-2H3
InChIKeySSMIFDOESQDGPZ-UHFFFAOYSA-N
XLogP0.58
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-propan-2-ylimidazol-2-one
CID 113807414
3-pentan-2-yl-1H-imidazol-2-one
CID 20469963
1-Isopropyl-1,3-dihydro-2H-imidazol-2-one
CID 21037405
1-Ethenyl-1-pentan-2-ylurea
CID 22112098
1-Propan-2-yl-3-propylimidazol-2-one
CID 23555511
3-(3-aminopropyl)-1H-imidazol-2-one
CID 45156757
1,3-Dipropyl-4-(propylamino)imidazol-2-one
CID 53703800
1,3-Di(propan-2-yl)imidazol-2-one
CID 57061724
N-[3-(3-methyl-2H-imidazol-1-yl)propyl]acetamide
CID 89269343
3,3-di(butan-2-yl)-1H-imidazol-3-ium-2-one
CID 91296497
1-[3-(2,3-dimethyl-2H-imidazol-1-yl)propyl]-3-propylurea
CID 91518668
1-(sec-butyl)-1,3-dihydro-2H-imidazol-2-one
CID 103124986

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one (CID 80579639) is 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CCCN)c1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is SSMIFDOESQDGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)12-7-6-11(9(12)13)5-3-4-10/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one?
1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80579639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).