hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine

C24H57N6O2- — CID 158134222

IUPAChydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine
SMILESC.C.C.CCC(=O)N1CCN(C)C1.CCC(=O)N1CCN(C)C1.CCCN1CCN(C)C1.[H-]
InChIInChI=1S/2C7H14N2O.C7H16N2.3CH4.H/c2*1-3-7(10)9-5-4-8(2)6-9;1-3-4-9-6-5-8(2)7-9;;;;/h2*3-6H2,1-2H3;3-7H2,1-2H3;3*1H4;/q;;;;;;-1
InChIKeyFTDNQGMOWINPIH-UHFFFAOYSA-N
MW461.76 g/mol
LogP2.88
Rot. Bonds4

About hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine

hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine (PubChem CID 158134222) has the molecular formula C24H57N6O2- and a molecular weight of 461.76 g/mol. Its IUPAC name is hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine.

Molecular Properties

Compound Namehydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine
PubChem CID158134222
Molecular FormulaC24H57N6O2-
Molecular Weight461.76 g/mol
Exact Mass461.45
IUPAC Namehydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine
SMILESC.C.C.CCC(=O)N1CCN(C)C1.CCC(=O)N1CCN(C)C1.CCCN1CCN(C)C1.[H-]
InChIInChI=1S/2C7H14N2O.C7H16N2.3CH4.H/c2*1-3-7(10)9-5-4-8(2)6-9;1-3-4-9-6-5-8(2)7-9;;;;/h2*3-6H2,1-2H3;3-7H2,1-2H3;3*1H4;/q;;;;;;-1
InChIKeyFTDNQGMOWINPIH-UHFFFAOYSA-N
XLogP2.88
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.76
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Bis(pyrrolidin-1-ylmethyl)imidazolidine-2,4-dione
CID 20350498
1-(3,4,4-Trimethylimidazolidin-1-yl)propan-2-one;bis(1,5,5-trimethyl-3-(2-oxopropyl)imidazolidine-2,4-dione)
CID 157345045
1-(3-Acetyl-2-methylideneimidazolidin-1-yl)ethanone;1,3-dimethyl-2-methylideneimidazolidine;1-(3-methyl-2-methylideneimidazolidin-1-yl)ethanone
CID 157632445
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 158949460
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
1-Tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one);methane
CID 160681254
1,3-Dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one);methane
CID 160955202
Bis(1,3-dimethylimidazolidin-2-one);1,3-dimethylpyrrolidin-2-one
CID 161460634
1,3-Diethylimidazolidin-2-one;1,3-dimethylimidazolidin-2-one;1,3-dipropylimidazolidin-2-one
CID 161948059
1-Tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
1-Methyl-3-propan-2-ylimidazolidin-2-one;bis(1-propan-2-ylpyrrolidin-2-one)
CID 167608679
1,3-Dimethylimidazolidin-2-one;ethane;1-methylpyrrolidin-2-one;pyrrolidin-2-one
CID 174871211

Frequently Asked Questions

What is the IUPAC name of hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine?
The IUPAC name of hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine (CID 158134222) is hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine.
What is the SMILES notation for hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine?
The canonical SMILES for hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine is C.C.C.CCC(=O)N1CCN(C)C1.CCC(=O)N1CCN(C)C1.CCCN1CCN(C)C1.[H-].
What is the InChIKey of hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine?
The InChIKey is FTDNQGMOWINPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14N2O.C7H16N2.3CH4.H/c2*1-3-7(10)9-5-4-8(2)6-9;1-3-4-9-6-5-8(2)7-9;;;;/h2*3-6H2,1-2H3;3-7H2,1-2H3;3*1H4;/q;;;;;;-1.
What are the key properties of hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine?
hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine has a molecular weight of 461.76 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;methane;bis(1-(3-methylimidazolidin-1-yl)propan-1-one);1-methyl-3-propylimidazolidine is sourced from PubChem (CID 158134222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).