1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine

C10H18N6 — CID 123690358

IUPAC1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine
SMILESCc1c[nH]cc1C/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C10H18N6/c1-7-4-13-5-8(7)6-14-9(11)15-10(12)16(2)3/h4-5,13H,6H2,1-3H3,(H4,11,12,14,15)
InChIKeyVAKMBWHRHYHTSE-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.01
Rot. Bonds2

About 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine

1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine (PubChem CID 123690358) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine
PubChem CID123690358
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine
SMILESCc1c[nH]cc1C/N=C(\N)N=C(N)N(C)C
InChIInChI=1S/C10H18N6/c1-7-4-13-5-8(7)6-14-9(11)15-10(12)16(2)3/h4-5,13H,6H2,1-3H3,(H4,11,12,14,15)
InChIKeyVAKMBWHRHYHTSE-UHFFFAOYSA-N
XLogP0.01
TPSA95.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.01
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'}

Analyze 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine
CID 123209755
1,1-dimethyl-2-[N'-[(2-methylcyclopenta-1,4-dien-1-yl)methyl]carbamimidoyl]guanidine
CID 159423174
2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
CID 53307570
1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
CID 140599394
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
[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate
CID 66687048
2-[N'-(cyclopropylmethyl)carbamimidoyl]-1,1-dimethylguanidine
CID 140599397
1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
CID 118455489
2-[N'-[2-(3,4-dihydroxyphenyl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
CID 123616116
2-(N'-tert-butylcarbamimidoyl)-1,1-dimethylguanidine
CID 53307491
2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
CID 123842816

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine?
The IUPAC name of 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine (CID 123690358) is 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine is Cc1c[nH]cc1C/N=C(\N)N=C(N)N(C)C.
What is the InChIKey of 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine?
The InChIKey is VAKMBWHRHYHTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-7-4-13-5-8(7)6-14-9(11)15-10(12)16(2)3/h4-5,13H,6H2,1-3H3,(H4,11,12,14,15).
What are the key properties of 1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine?
1,1-dimethyl-2-[N'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine has a molecular weight of 222.30 g/mol, XLogP of 0.01, 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'-[(4-methyl-1H-pyrrol-3-yl)methyl]carbamimidoyl]guanidine is sourced from PubChem (CID 123690358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).