N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide

C11H19N7 — CID 10490847

IUPACN'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide
SMILES[H]/N=C1/C(/N=C/N(C)C)=C(/N=C/N(C)C)/C(=N/[H])N1C
InChIInChI=1S/C11H19N7/c1-16(2)6-14-8-9(15-7-17(3)4)11(13)18(5)10(8)12/h6-7,12-13H,1-5H3/b12-10-,13-11-,14-6+,15-7+
InChIKeyGHMSBDDLLXQLMZ-KQIJNCBCSA-N
MW249.32 g/mol
LogP0.28
Rot. Bonds4

About N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide

N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide (PubChem CID 10490847) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide
PubChem CID10490847
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide
SMILES[H]/N=C1/C(/N=C/N(C)C)=C(/N=C/N(C)C)/C(=N/[H])N1C
InChIInChI=1S/C11H19N7/c1-16(2)6-14-8-9(15-7-17(3)4)11(13)18(5)10(8)12/h6-7,12-13H,1-5H3/b12-10-,13-11-,14-6+,15-7+
InChIKeyGHMSBDDLLXQLMZ-KQIJNCBCSA-N
XLogP0.28
TPSA82.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide (CID 10490847) is N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide is [H]/N=C1/C(/N=C/N(C)C)=C(/N=C/N(C)C)/C(=N/[H])N1C.
What is the InChIKey of N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide?
The InChIKey is GHMSBDDLLXQLMZ-KQIJNCBCSA-N. The full InChI is InChI=1S/C11H19N7/c1-16(2)6-14-8-9(15-7-17(3)4)11(13)18(5)10(8)12/h6-7,12-13H,1-5H3/b12-10-,13-11-,14-6+,15-7+.
What are the key properties of N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide?
N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide has a molecular weight of 249.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(dimethylaminomethylideneamino)-2,5-diimino-1-methylpyrrol-3-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 10490847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).