1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one

C12H26N4O — CID 22381238

IUPAC1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one
SMILESCCC(CNC)(CNC)CN1C(=O)NCC1C
InChIInChI=1S/C12H26N4O/c1-5-12(7-13-3,8-14-4)9-16-10(2)6-15-11(16)17/h10,13-14H,5-9H2,1-4H3,(H,15,17)
InChIKeyOEKYSSWTGQLYFA-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.24
Rot. Bonds7

About 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one

1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one (PubChem CID 22381238) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one
PubChem CID22381238
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one
SMILESCCC(CNC)(CNC)CN1C(=O)NCC1C
InChIInChI=1S/C12H26N4O/c1-5-12(7-13-3,8-14-4)9-16-10(2)6-15-11(16)17/h10,13-14H,5-9H2,1-4H3,(H,15,17)
InChIKeyOEKYSSWTGQLYFA-UHFFFAOYSA-N
XLogP0.24
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-ethylpyrrolidine-1-carboxamide
CID 68378697
1,3,3-Trimethyl-1-(pyrrolidin-3-yl)urea
CID 79154183
1-Methyl-3-[3-(4-methylpiperazin-1-yl)propyl]-1-(1-methylpyrrolidin-3-yl)urea
CID 172434454
3-(Propan-2-yl)-1-(pyrrolidin-3-yl)urea hydrochloride
CID 170911671
3-Amino-4-[(dimethylamino)methyl]-N-methylpyrrolidine-1-carboxamide
CID 90488125
3-(Propan-2-yl)-1-(pyrrolidin-3-yl)urea
CID 43604170
(3S)-3-(diethylamino)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 95907873
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(3,3-dimethylbutyl)piperazine-1-carboxamide
CID 164633487
1-[(3R)-1-[(2S)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 89492899
1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-tert-butylurea
CID 89492900
1-[(3R)-1-[(2S)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-methylurea
CID 89495105
1-[(3R)-1-[(2R)-3-amino-2-fluoropropyl]pyrrolidin-3-yl]-3-methylurea
CID 89495158

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one?
The IUPAC name of 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one (CID 22381238) is 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one is CCC(CNC)(CNC)CN1C(=O)NCC1C.
What is the InChIKey of 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one?
The InChIKey is OEKYSSWTGQLYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-5-12(7-13-3,8-14-4)9-16-10(2)6-15-11(16)17/h10,13-14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one?
1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one has a molecular weight of 242.37 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(methylaminomethyl)butyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 22381238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).