1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one

C13H24N4O — CID 54881070

IUPAC1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1CCN(C2CC2)C1
InChIInChI=1S/C13H24N4O/c18-13-15-5-8-16(13)7-4-14-9-11-3-6-17(10-11)12-1-2-12/h11-12,14H,1-10H2,(H,15,18)
InChIKeyUHLBQZONQZEBPC-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.09
Rot. Bonds6

About 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one

1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one (PubChem CID 54881070) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one
PubChem CID54881070
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNCC1CCN(C2CC2)C1
InChIInChI=1S/C13H24N4O/c18-13-15-5-8-16(13)7-4-14-9-11-3-6-17(10-11)12-1-2-12/h11-12,14H,1-10H2,(H,15,18)
InChIKeyUHLBQZONQZEBPC-UHFFFAOYSA-N
XLogP0.09
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-hydroxycyclohexyl)methylamino]ethyl]imidazolidin-2-one
CID 106133692
1-[2-[(4-methylcyclohexyl)methylamino]ethyl]imidazolidin-2-one
CID 63243893
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethanol
CID 60977405
1-[2-(thiolan-2-ylmethylamino)ethyl]imidazolidin-2-one
CID 80585468
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]butanenitrile
CID 60977265
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63655458
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326322
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]azepan-2-one
CID 63903892
2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 60809819
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112588836

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one (CID 54881070) is 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNCC1CCN(C2CC2)C1.
What is the InChIKey of 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one?
The InChIKey is UHLBQZONQZEBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c18-13-15-5-8-16(13)7-4-14-9-11-3-6-17(10-11)12-1-2-12/h11-12,14H,1-10H2,(H,15,18).
What are the key properties of 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one?
1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 54881070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).