1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride

C6H16ClN5 — CID 176521023

IUPAC1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/CC(C)C
InChIInChI=1S/C6H15N5.ClH/c1-4(2)3-10-6(9)11-5(7)8;/h4H,3H2,1-2H3,(H6,7,8,9,10,11);1H
InChIKeyBWWLZUBMTAKUKN-UHFFFAOYSA-N
MW193.68 g/mol
LogP-0.14
Rot. Bonds2

About 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride

1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride (PubChem CID 176521023) has the molecular formula C6H16ClN5 and a molecular weight of 193.68 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride
PubChem CID176521023
Molecular FormulaC6H16ClN5
Molecular Weight193.68 g/mol
Exact Mass193.11
IUPAC Name1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N/C(N)=N/CC(C)C
InChIInChI=1S/C6H15N5.ClH/c1-4(2)3-10-6(9)11-5(7)8;/h4H,3H2,1-2H3,(H6,7,8,9,10,11);1H
InChIKeyBWWLZUBMTAKUKN-UHFFFAOYSA-N
XLogP-0.14
TPSA100.28 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride (CID 176521023) is 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride is Cl.[H]/N=C(\N)N/C(N)=N/CC(C)C.
What is the InChIKey of 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride?
The InChIKey is BWWLZUBMTAKUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5.ClH/c1-4(2)3-10-6(9)11-5(7)8;/h4H,3H2,1-2H3,(H6,7,8,9,10,11);1H.
What are the key properties of 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride?
1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of -0.14, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-methylpropyl)guanidine;hydrochloride is sourced from PubChem (CID 176521023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).