N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide

C11H19N7 — CID 177423467

IUPACN'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide
SMILES[H]/N=C1\N/C(=N\C)C(/N=C/N(C)C)=C1/N=C/N(C)C
InChIInChI=1S/C11H19N7/c1-13-11-9(15-7-18(4)5)8(10(12)16-11)14-6-17(2)3/h6-7H,1-5H3,(H2,12,13,16)/b14-6+,15-7+
InChIKeyHZMNXILNESYAMW-MKFXEVHTSA-N
MW249.32 g/mol
LogP-0.01
Rot. Bonds4

About N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide

N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide (PubChem CID 177423467) has the molecular formula C11H19N7 and a molecular weight of 249.32 g/mol. Its IUPAC name is N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide
PubChem CID177423467
Molecular FormulaC11H19N7
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide
SMILES[H]/N=C1\N/C(=N\C)C(/N=C/N(C)C)=C1/N=C/N(C)C
InChIInChI=1S/C11H19N7/c1-13-11-9(15-7-18(4)5)8(10(12)16-11)14-6-17(2)3/h6-7H,1-5H3,(H2,12,13,16)/b14-6+,15-7+
InChIKeyHZMNXILNESYAMW-MKFXEVHTSA-N
XLogP-0.01
TPSA79.44 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 ≤ 5-0.01
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-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide (CID 177423467) is N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide is [H]/N=C1\N/C(=N\C)C(/N=C/N(C)C)=C1/N=C/N(C)C.
What is the InChIKey of N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide?
The InChIKey is HZMNXILNESYAMW-MKFXEVHTSA-N. The full InChI is InChI=1S/C11H19N7/c1-13-11-9(15-7-18(4)5)8(10(12)16-11)14-6-17(2)3/h6-7H,1-5H3,(H2,12,13,16)/b14-6+,15-7+.
What are the key properties of N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide?
N'-[4-(dimethylaminomethylideneamino)-2-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide has a molecular weight of 249.32 g/mol, XLogP of -0.01, 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-imino-5-methyliminopyrrol-3-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 177423467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).