1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one

C8H17N3O — CID 62490655

IUPAC1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one
SMILESCNCCCN1CCN(C)C1=O
InChIInChI=1S/C8H17N3O/c1-9-4-3-5-11-7-6-10(2)8(11)12/h9H,3-7H2,1-2H3
InChIKeyQFQBCYRVCKQHGI-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.04
Rot. Bonds4

About 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one

1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one (PubChem CID 62490655) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one
PubChem CID62490655
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one
SMILESCNCCCN1CCN(C)C1=O
InChIInChI=1S/C8H17N3O/c1-9-4-3-5-11-7-6-10(2)8(11)12/h9H,3-7H2,1-2H3
InChIKeyQFQBCYRVCKQHGI-UHFFFAOYSA-N
XLogP-0.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.04
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

N-(2-Aminoethyl)ethyleneurea
CID 80480
1-[1,3-Dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea
CID 660143
1-[4-(Dimethylamino)-2-butynyl]-2-imidazolidinone
CID 15065515
1-Methylimidazolidin-2-one
CID 567600
1-(Propan-2-yl)imidazolidin-2-one
CID 21719015
3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
Urea, (1-ethyl-3-pyrrolidinyl)-
CID 209543
1,5-Dimethylimidazolidin-2-one
CID 11263488
3-Methyl-1-(pyrrolidin-3-yl)urea
CID 22504281
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
1-Ethylimidazolidin-2-one
CID 11378469
1-[1,3-Dimethyl-2-oxo-5-[[oxo(propylamino)methyl]amino]-4-imidazolidinyl]-3-propylurea
CID 656368

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one (CID 62490655) is 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one is CNCCCN1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one?
The InChIKey is QFQBCYRVCKQHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-9-4-3-5-11-7-6-10(2)8(11)12/h9H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one?
1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(methylamino)propyl]imidazolidin-2-one is sourced from PubChem (CID 62490655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).