1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one

C12H19N3O — CID 80579640

IUPAC1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one
SMILESNCCC1(Cn2ccn(C3CC3)c2=O)CC1
InChIInChI=1S/C12H19N3O/c13-6-5-12(3-4-12)9-14-7-8-15(11(14)16)10-1-2-10/h7-8,10H,1-6,9,13H2
InChIKeyPCYXBTRDKCAXFB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.11
Rot. Bonds5

About 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one

1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one (PubChem CID 80579640) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one.

Molecular Properties

Compound Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one
PubChem CID80579640
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one
SMILESNCCC1(Cn2ccn(C3CC3)c2=O)CC1
InChIInChI=1S/C12H19N3O/c13-6-5-12(3-4-12)9-14-7-8-15(11(14)16)10-1-2-10/h7-8,10H,1-6,9,13H2
InChIKeyPCYXBTRDKCAXFB-UHFFFAOYSA-N
XLogP1.11
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one?
The IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one (CID 80579640) is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one.
What is the SMILES notation for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one?
The canonical SMILES for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one is NCCC1(Cn2ccn(C3CC3)c2=O)CC1.
What is the InChIKey of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one?
The InChIKey is PCYXBTRDKCAXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-6-5-12(3-4-12)9-14-7-8-15(11(14)16)10-1-2-10/h7-8,10H,1-6,9,13H2.
What are the key properties of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one?
1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-cyclopropylimidazol-2-one is sourced from PubChem (CID 80579640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).