2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride

C7H18ClN5 — CID 176541853

IUPAC2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)NCC(C)(C)C
InChIInChI=1S/C7H17N5.ClH/c1-7(2,3)4-11-6(10)12-5(8)9;/h4H2,1-3H3,(H6,8,9,10,11,12);1H
InChIKeyZPYJMWBTHKPUJE-UHFFFAOYSA-N
MW207.71 g/mol
LogP0.25
Rot. Bonds1

About 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride

2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride (PubChem CID 176541853) has the molecular formula C7H18ClN5 and a molecular weight of 207.71 g/mol. Its IUPAC name is 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride
PubChem CID176541853
Molecular FormulaC7H18ClN5
Molecular Weight207.71 g/mol
Exact Mass207.13
IUPAC Name2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)NCC(C)(C)C
InChIInChI=1S/C7H17N5.ClH/c1-7(2,3)4-11-6(10)12-5(8)9;/h4H2,1-3H3,(H6,8,9,10,11,12);1H
InChIKeyZPYJMWBTHKPUJE-UHFFFAOYSA-N
XLogP0.25
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.71
LogP ≤ 50.25
H-Bond Donors ≤ 54
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 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride?
The IUPAC name of 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride (CID 176541853) is 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride.
What is the SMILES notation for 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride?
The canonical SMILES for 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)NCC(C)(C)C.
What is the InChIKey of 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride?
The InChIKey is ZPYJMWBTHKPUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5.ClH/c1-7(2,3)4-11-6(10)12-5(8)9;/h4H2,1-3H3,(H6,8,9,10,11,12);1H.
What are the key properties of 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride?
2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride has a molecular weight of 207.71 g/mol, XLogP of 0.25, 1 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamimidoyl-1-(2,2-dimethylpropyl)guanidine;hydrochloride is sourced from PubChem (CID 176541853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).