[amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium

C7H12N3+ — CID 6346859

IUPAC[amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium
SMILESCc1ccc(C(N)=[NH2+])n1C
InChIInChI=1S/C7H11N3/c1-5-3-4-6(7(8)9)10(5)2/h3-4H,1-2H3,(H3,8,9)/p+1
InChIKeyZJGZSOPQLOXMAO-UHFFFAOYSA-O
MW138.19 g/mol
LogP-1.20
Rot. Bonds1

About [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium

[amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium (PubChem CID 6346859) has the molecular formula C7H12N3+ and a molecular weight of 138.19 g/mol. Its IUPAC name is [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium.

Molecular Properties

Compound Name[amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium
PubChem CID6346859
Molecular FormulaC7H12N3+
Molecular Weight138.19 g/mol
Exact Mass138.10
IUPAC Name[amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium
SMILESCc1ccc(C(N)=[NH2+])n1C
InChIInChI=1S/C7H11N3/c1-5-3-4-6(7(8)9)10(5)2/h3-4H,1-2H3,(H3,8,9)/p+1
InChIKeyZJGZSOPQLOXMAO-UHFFFAOYSA-O
XLogP-1.20
TPSA56.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,5-Trimethylpyrrole
CID 70260
2-(2,5-Dimethyl-1H-pyrrol-1-yl)aniline
CID 737560
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
(1-methyl-1H-pyrrol-2-yl)methanamine
CID 2776207
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
(1,5-dimethyl-1H-pyrrol-2-yl)methanamine
CID 737232
1,5-Dimethylpyrrole-2-carbonitrile
CID 91812
1H-Pyrrole, 1-ethyl-2,5-dimethyl-
CID 78741
2,5-Dimethyl-1-octadecylpyrrole
CID 459071
1-Butyl-2,5-dimethyl-1H-pyrrole
CID 527528
1-methyl-1H-pyrrole-2-ethylamine
CID 565058
1,6-dimethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
CID 3672668

Frequently Asked Questions

What is the IUPAC name of [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium?
The IUPAC name of [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium (CID 6346859) is [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium.
What is the SMILES notation for [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium?
The canonical SMILES for [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium is Cc1ccc(C(N)=[NH2+])n1C.
What is the InChIKey of [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium?
The InChIKey is ZJGZSOPQLOXMAO-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11N3/c1-5-3-4-6(7(8)9)10(5)2/h3-4H,1-2H3,(H3,8,9)/p+1.
What are the key properties of [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium?
[amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium has a molecular weight of 138.19 g/mol, XLogP of -1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(1,5-dimethylpyrrol-2-yl)methylidene]azanium is sourced from PubChem (CID 6346859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).