1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one

C10H21N3O — CID 112546490

IUPAC1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one
SMILESCNCCCN1CCN(C(C)C)C1=O
InChIInChI=1S/C10H21N3O/c1-9(2)13-8-7-12(10(13)14)6-4-5-11-3/h9,11H,4-8H2,1-3H3
InChIKeyVUHOLAQOIYERRM-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.74
Rot. Bonds5

About 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one

1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 112546490) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID112546490
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one
SMILESCNCCCN1CCN(C(C)C)C1=O
InChIInChI=1S/C10H21N3O/c1-9(2)13-8-7-12(10(13)14)6-4-5-11-3/h9,11H,4-8H2,1-3H3
InChIKeyVUHOLAQOIYERRM-UHFFFAOYSA-N
XLogP0.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 21025400
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941
1-methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967
1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one
CID 21025428
3-[3-(methylamino)propyl]-1,3-oxazinan-2-one
CID 61349236
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
CID 63778931
1-methyl-3-(5-methylhexyl)imidazolidin-2-one
CID 167272324
1-propan-2-yl-3-[4-[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]butyl]imidazolidin-2-one
CID 54257224
1,3-dibutylimidazolidin-2-one
CID 20887
1-methyl-3-[3-(propylamino)propyl]imidazolidin-2-one
CID 62490656
1-methylsulfanyl-3-propan-2-ylimidazolidin-2-one
CID 138727578
4-(2-fluorophenyl)-1-[3-(methylamino)propyl]imidazolidin-2-one
CID 116978623

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one (CID 112546490) is 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one is CNCCCN1CCN(C(C)C)C1=O.
What is the InChIKey of 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is VUHOLAQOIYERRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-9(2)13-8-7-12(10(13)14)6-4-5-11-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one?
1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 199.30 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)propyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 112546490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).