1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine

C8H14N6 — CID 123396069

IUPAC1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine
SMILESCN(C)C(N)=N/C(N)=N/c1cc[nH]c1
InChIInChI=1S/C8H14N6/c1-14(2)8(10)13-7(9)12-6-3-4-11-5-6/h3-5,11H,1-2H3,(H4,9,10,12,13)
InChIKeyASZSUYMNJQTABH-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.16
Rot. Bonds1

About 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine

1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine (PubChem CID 123396069) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine
PubChem CID123396069
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine
SMILESCN(C)C(N)=N/C(N)=N/c1cc[nH]c1
InChIInChI=1S/C8H14N6/c1-14(2)8(10)13-7(9)12-6-3-4-11-5-6/h3-5,11H,1-2H3,(H4,9,10,12,13)
InChIKeyASZSUYMNJQTABH-UHFFFAOYSA-N
XLogP-0.16
TPSA95.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine?
The IUPAC name of 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine (CID 123396069) is 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine is CN(C)C(N)=N/C(N)=N/c1cc[nH]c1.
What is the InChIKey of 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine?
The InChIKey is ASZSUYMNJQTABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-14(2)8(10)13-7(9)12-6-3-4-11-5-6/h3-5,11H,1-2H3,(H4,9,10,12,13).
What are the key properties of 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine?
1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine has a molecular weight of 194.24 g/mol, XLogP of -0.16, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine is sourced from PubChem (CID 123396069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).