N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)

C22H50N10O — CID 90874086

IUPACN,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)
SMILESC/N=C(\C)NC.C/N=C(\N)N1CCCCC1.C/N=C(\N)N1CCCCC1.[H]/N=C(\C)N(C)OC
InChIInChI=1S/2C7H15N3.C4H10N2O.C4H10N2/c2*1-9-7(8)10-5-3-2-4-6-10;1-4(5)6(2)7-3;1-4(5-2)6-3/h2*2-6H2,1H3,(H2,8,9);5H,1-3H3;1-3H3,(H,5,6)/b;;5-4+;
InChIKeyBNZDUVJFNBHKOS-IUUWYBMPSA-N
MW470.71 g/mol
LogP1.56
Rot. Bonds1

About N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)

N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide) (PubChem CID 90874086) has the molecular formula C22H50N10O and a molecular weight of 470.71 g/mol. Its IUPAC name is N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide).

Molecular Properties

Compound NameN,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)
PubChem CID90874086
Molecular FormulaC22H50N10O
Molecular Weight470.71 g/mol
Exact Mass470.42
IUPAC NameN,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)
SMILESC/N=C(\C)NC.C/N=C(\N)N1CCCCC1.C/N=C(\N)N1CCCCC1.[H]/N=C(\C)N(C)OC
InChIInChI=1S/2C7H15N3.C4H10N2O.C4H10N2/c2*1-9-7(8)10-5-3-2-4-6-10;1-4(5)6(2)7-3;1-4(5-2)6-3/h2*2-6H2,1H3,(H2,8,9);5H,1-3H3;1-3H3,(H,5,6)/b;;5-4+;
InChIKeyBNZDUVJFNBHKOS-IUUWYBMPSA-N
XLogP1.56
TPSA143.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.71
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methylazocane-1-carboximidamide
CID 62359325
N-(N'-methylcarbamimidoyl)piperidine-1-carboximidamide;hydrochloride
CID 176523223
N,N'-dimethylethanimidamide;ethane
CID 176553571
2-carbamimidoyl-1-methoxy-1-methylguanidine
CID 176522466
N'-tert-butylazocane-1-carboximidamide
CID 62361042
bis(N'-carbamimidoylpiperidine-1-carboximidamide);sulfuric acid
CID 176522883
methyl 1-carbamimidoylazetidine-3-carboxylate
CID 178200661
N-[[1-(N'-methylcarbamimidoyl)piperidin-4-yl]methyl]acetamide
CID 102736501
ethane;1-piperidin-1-ylethanimine
CID 142132316
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
3-N-methoxy-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60767416

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)?
The IUPAC name of N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide) (CID 90874086) is N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide).
What is the SMILES notation for N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)?
The canonical SMILES for N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide) is C/N=C(\C)NC.C/N=C(\N)N1CCCCC1.C/N=C(\N)N1CCCCC1.[H]/N=C(\C)N(C)OC.
What is the InChIKey of N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)?
The InChIKey is BNZDUVJFNBHKOS-IUUWYBMPSA-N. The full InChI is InChI=1S/2C7H15N3.C4H10N2O.C4H10N2/c2*1-9-7(8)10-5-3-2-4-6-10;1-4(5)6(2)7-3;1-4(5-2)6-3/h2*2-6H2,1H3,(H2,8,9);5H,1-3H3;1-3H3,(H,5,6)/b;;5-4+;.
What are the key properties of N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide)?
N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide) has a molecular weight of 470.71 g/mol, XLogP of 1.56, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethylethanimidamide;N-methoxy-N-methylethanimidamide;bis(N'-methylpiperidine-1-carboximidamide) is sourced from PubChem (CID 90874086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).