1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride

C10H17ClN6 — CID 140599394

IUPAC1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
SMILESCN(C)/C(N)=N\C(N)=N\Cc1cccnc1.Cl
InChIInChI=1S/C10H16N6.ClH/c1-16(2)10(12)15-9(11)14-7-8-4-3-5-13-6-8;/h3-6H,7H2,1-2H3,(H4,11,12,14,15);1H
InChIKeyVUPMXOKLLYUEAM-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.19
Rot. Bonds2

About 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride

1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride (PubChem CID 140599394) has the molecular formula C10H17ClN6 and a molecular weight of 256.74 g/mol. Its IUPAC name is 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride.

Molecular Properties

Compound Name1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
PubChem CID140599394
Molecular FormulaC10H17ClN6
Molecular Weight256.74 g/mol
Exact Mass256.12
IUPAC Name1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride
SMILESCN(C)/C(N)=N\C(N)=N\Cc1cccnc1.Cl
InChIInChI=1S/C10H16N6.ClH/c1-16(2)10(12)15-9(11)14-7-8-4-3-5-13-6-8;/h3-6H,7H2,1-2H3,(H4,11,12,14,15);1H
InChIKeyVUPMXOKLLYUEAM-UHFFFAOYSA-N
XLogP0.19
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.19
H-Bond Donors ≤ 52
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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Related Compounds

1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
N'-(pyridin-3-ylmethyl)propanimidamide
CID 63178456
1-[amino(dimethylamino)methylidene]-3-(3-pyridin-3-ylpropyl)thiourea
CID 57123133
3-benzyl-1,1-dimethyl-2-(pyridin-3-ylmethyl)guanidine
CID 111023402
1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023341
1,1-dimethyl-2-[N'-(1H-pyrrol-2-ylmethyl)carbamimidoyl]guanidine
CID 123209755
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
methyl N'-benzyl-N-methyl-N-(pyridin-3-ylmethyl)carbamimidothioate
CID 54549572
1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
1-octyl-2-(pyridin-3-ylmethyl)guanidine
CID 111023328
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
[4-[[[amino-[[amino(dimethylamino)methylidene]amino]methylidene]amino]methyl]phenyl] N,N-diethylcarbamate
CID 66687048

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride?
The IUPAC name of 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride (CID 140599394) is 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride.
What is the SMILES notation for 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride?
The canonical SMILES for 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride is CN(C)/C(N)=N\C(N)=N\Cc1cccnc1.Cl.
What is the InChIKey of 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride?
The InChIKey is VUPMXOKLLYUEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6.ClH/c1-16(2)10(12)15-9(11)14-7-8-4-3-5-13-6-8;/h3-6H,7H2,1-2H3,(H4,11,12,14,15);1H.
What are the key properties of 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride?
1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride has a molecular weight of 256.74 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[N'-(pyridin-3-ylmethyl)carbamimidoyl]guanidine;hydrochloride is sourced from PubChem (CID 140599394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).