1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one

C13H26N4O — CID 116978812

IUPAC1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
SMILESCN1CCC(C2CN(C(C)(C)CCN)C(=O)N2)C1
InChIInChI=1S/C13H26N4O/c1-13(2,5-6-14)17-9-11(15-12(17)18)10-4-7-16(3)8-10/h10-11H,4-9,14H2,1-3H3,(H,15,18)
InChIKeySNHHEWOMVAMZLL-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.46
Rot. Bonds4

About 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one

1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one (PubChem CID 116978812) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
PubChem CID116978812
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
SMILESCN1CCC(C2CN(C(C)(C)CCN)C(=O)N2)C1
InChIInChI=1S/C13H26N4O/c1-13(2,5-6-14)17-9-11(15-12(17)18)10-4-7-16(3)8-10/h10-11H,4-9,14H2,1-3H3,(H,15,18)
InChIKeySNHHEWOMVAMZLL-UHFFFAOYSA-N
XLogP0.46
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminocyclohexyl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116979324
1-(4-amino-2-methylbutan-2-yl)-4-(4-bromothiophen-2-yl)imidazolidin-2-one
CID 116978796
1-(3-amino-2-methylpropyl)-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116978731
4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116855881
4-(1-methylpyrrolidin-3-yl)-1-(piperidin-2-ylmethyl)imidazolidin-2-one
CID 116979152
2-[4-(1-methylpyrrolidin-3-yl)piperidin-1-yl]ethanamine
CID 116962889
4-(1-methylpyrrolidin-3-yl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980702
1-(1-amino-2-methylpropan-2-yl)-3-methyl-4-(1-methylpiperidin-3-yl)imidazolidin-2-one
CID 116981390
1-(3-aminopropyl)-3-methyl-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one
CID 116981471
3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine
CID 115134988
2-tert-butyl-5-methyl-1,3a,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-3-one
CID 154980878
methyl 2-[4-(1-methylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]acetate
CID 116980345

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one (CID 116978812) is 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one is CN1CCC(C2CN(C(C)(C)CCN)C(=O)N2)C1.
What is the InChIKey of 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
The InChIKey is SNHHEWOMVAMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-13(2,5-6-14)17-9-11(15-12(17)18)10-4-7-16(3)8-10/h10-11H,4-9,14H2,1-3H3,(H,15,18).
What are the key properties of 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one?
1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one has a molecular weight of 254.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylbutan-2-yl)-4-(1-methylpyrrolidin-3-yl)imidazolidin-2-one is sourced from PubChem (CID 116978812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).