1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride

C6H13ClN6 — CID 176526326

IUPAC1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C(C)(C)C#N
InChIInChI=1S/C6H12N6.ClH/c1-6(2,3-7)12-5(10)11-4(8)9;/h1-2H3,(H6,8,9,10,11,12);1H
InChIKeyXCQMHCPDEBRYSQ-UHFFFAOYSA-N
MW204.67 g/mol
LogP-0.49
Rot. Bonds1

About 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride

1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride (PubChem CID 176526326) has the molecular formula C6H13ClN6 and a molecular weight of 204.67 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride
PubChem CID176526326
Molecular FormulaC6H13ClN6
Molecular Weight204.67 g/mol
Exact Mass204.09
IUPAC Name1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/C(C)(C)C#N
InChIInChI=1S/C6H12N6.ClH/c1-6(2,3-7)12-5(10)11-4(8)9;/h1-2H3,(H6,8,9,10,11,12);1H
InChIKeyXCQMHCPDEBRYSQ-UHFFFAOYSA-N
XLogP-0.49
TPSA124.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.67
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-carbamimidoyl-2-(1,1-dichloroethyl)guanidine
CID 176527824
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
1-carbamimidoyl-2-methylguanidine;2-cyanoguanidine;methanamine;dihydrochloride
CID 176533244
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
bis(1-carbamimidoylguanidine);dihydrochloride
CID 176545553
1-carbamimidoyl-2-(3-hydroxy-2,2-dimethylpropyl)guanidine
CID 176547033
1-carbamimidoylguanidine;prop-1-ene
CID 176521577
1-carbamimidoylguanidine;methane
CID 176544517
tris(1-carbamimidoylguanidine);cobalt(3+)
CID 135534766
1-carbamimidoyl-2-[3-(dimethylamino)-2,2-dimethylpropyl]guanidine
CID 176546798
2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride (CID 176526326) is 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/C(C)(C)C#N.
What is the InChIKey of 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride?
The InChIKey is XCQMHCPDEBRYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N6.ClH/c1-6(2,3-7)12-5(10)11-4(8)9;/h1-2H3,(H6,8,9,10,11,12);1H.
What are the key properties of 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride?
1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride has a molecular weight of 204.67 g/mol, XLogP of -0.49, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 176526326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).