N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide

C8H13N3 — CID 123666520

IUPACN-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide
SMILESC/N=C/Nc1ccn(C)c1C
InChIInChI=1S/C8H13N3/c1-7-8(10-6-9-2)4-5-11(7)3/h4-6H,1-3H3,(H,9,10)
InChIKeyJAPACMNLGOHPJY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds2

About N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide

N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide (PubChem CID 123666520) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide
PubChem CID123666520
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide
SMILESC/N=C/Nc1ccn(C)c1C
InChIInChI=1S/C8H13N3/c1-7-8(10-6-9-2)4-5-11(7)3/h4-6H,1-3H3,(H,9,10)
InChIKeyJAPACMNLGOHPJY-UHFFFAOYSA-N
XLogP1.40
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide?
The IUPAC name of N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide (CID 123666520) is N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide?
The canonical SMILES for N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide is C/N=C/Nc1ccn(C)c1C.
What is the InChIKey of N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide?
The InChIKey is JAPACMNLGOHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-8(10-6-9-2)4-5-11(7)3/h4-6H,1-3H3,(H,9,10).
What are the key properties of N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide?
N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpyrrol-3-yl)-N'-methylmethanimidamide is sourced from PubChem (CID 123666520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).