1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride

C7H18ClN5 — CID 176518466

IUPAC1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(C)CCCC
InChIInChI=1S/C7H17N5.ClH/c1-3-4-5-12(2)7(10)11-6(8)9;/h3-5H2,1-2H3,(H5,8,9,10,11);1H
InChIKeyGUDNRIYIPXNMHW-UHFFFAOYSA-N
MW207.71 g/mol
LogP0.35
Rot. Bonds3

About 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride

1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride (PubChem CID 176518466) has the molecular formula C7H18ClN5 and a molecular weight of 207.71 g/mol. Its IUPAC name is 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride.

Molecular Properties

Compound Name1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride
PubChem CID176518466
Molecular FormulaC7H18ClN5
Molecular Weight207.71 g/mol
Exact Mass207.13
IUPAC Name1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride
SMILESCl.[H]/N=C(N)/N=C(\N)N(C)CCCC
InChIInChI=1S/C7H17N5.ClH/c1-3-4-5-12(2)7(10)11-6(8)9;/h3-5H2,1-2H3,(H5,8,9,10,11);1H
InChIKeyGUDNRIYIPXNMHW-UHFFFAOYSA-N
XLogP0.35
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.71
LogP ≤ 50.35
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride?
The IUPAC name of 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride (CID 176518466) is 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride.
What is the SMILES notation for 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride?
The canonical SMILES for 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride is Cl.[H]/N=C(N)/N=C(\N)N(C)CCCC.
What is the InChIKey of 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride?
The InChIKey is GUDNRIYIPXNMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5.ClH/c1-3-4-5-12(2)7(10)11-6(8)9;/h3-5H2,1-2H3,(H5,8,9,10,11);1H.
What are the key properties of 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride?
1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride has a molecular weight of 207.71 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-carbamimidoyl-1-methylguanidine;hydrochloride is sourced from PubChem (CID 176518466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).