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

C9H16N6 — CID 123209755

IUPAC1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine
SMILESCN(C)C(N)=N/C(N)=N/Cc1ccc[nH]1
InChIInChI=1S/C9H16N6/c1-15(2)9(11)14-8(10)13-6-7-4-3-5-12-7/h3-5,12H,6H2,1-2H3,(H4,10,11,13,14)
InChIKeyHJZGWSJCAOIMOL-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.29
Rot. Bonds2

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

1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine (PubChem CID 123209755) has the molecular formula C9H16N6 and a molecular weight of 208.27 g/mol. Its IUPAC name is 1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine
PubChem CID123209755
Molecular FormulaC9H16N6
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine
SMILESCN(C)C(N)=N/C(N)=N/Cc1ccc[nH]1
InChIInChI=1S/C9H16N6/c1-15(2)9(11)14-8(10)13-6-7-4-3-5-12-7/h3-5,12H,6H2,1-2H3,(H4,10,11,13,14)
InChIKeyHJZGWSJCAOIMOL-UHFFFAOYSA-N
XLogP-0.29
TPSA95.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.29
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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Related Compounds

1-[(dimethylamino)methyl]-2-(1H-pyrrol-2-ylmethyl)guanidine
CID 146588669
2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
CID 53307570
1-methyl-2-(N'-methylcarbamimidoyl)-1-(1H-pyrrol-2-yl)guanidine
CID 123915713
1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
CID 140599394
1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine
CID 123690358
2-[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
CID 118466379
1,1-dimethyl-2-[N'-(1H-pyrrol-3-yl)carbamimidoyl]guanidine
CID 123396069
1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine
CID 159423174
2-[N'-[2-(3,4-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
CID 123616116
(2S)-1-(1H-pyrrol-2-yl)propan-2-ol
CID 93340936
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 140599397
2-ethyl-1H-pyrrole;hydrobromide
CID 174918112

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine?
The IUPAC name of 1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine (CID 123209755) is 1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine is CN(C)C(N)=N/C(N)=N/Cc1ccc[nH]1.
What is the InChIKey of 1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine?
The InChIKey is HJZGWSJCAOIMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6/c1-15(2)9(11)14-8(10)13-6-7-4-3-5-12-7/h3-5,12H,6H2,1-2H3,(H4,10,11,13,14).
What are the key properties of 1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine?
1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine has a molecular weight of 208.27 g/mol, XLogP of -0.29, 2 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-2-ylmethyl)carbamimidoyl]guanidine is sourced from PubChem (CID 123209755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).