1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine

C7H17N5O — CID 176546881

IUPAC1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C(C)CCOC
InChIInChI=1S/C7H17N5O/c1-5(3-4-13-2)11-7(10)12-6(8)9/h5H,3-4H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyMLCRKHHZWDELIB-UHFFFAOYSA-N
MW187.25 g/mol
LogP-0.79
Rot. Bonds4

About 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine

1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine (PubChem CID 176546881) has the molecular formula C7H17N5O and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine
PubChem CID176546881
Molecular FormulaC7H17N5O
Molecular Weight187.25 g/mol
Exact Mass187.14
IUPAC Name1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/C(C)CCOC
InChIInChI=1S/C7H17N5O/c1-5(3-4-13-2)11-7(10)12-6(8)9/h5H,3-4H2,1-2H3,(H6,8,9,10,11,12)
InChIKeyMLCRKHHZWDELIB-UHFFFAOYSA-N
XLogP-0.79
TPSA109.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 5-0.79
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'}

Analyze 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hydroxy-2-(4-methoxybutan-2-yl)guanidine
CID 64604532
1-carbamimidoyl-2-[1-(dimethylamino)propan-2-yl]guanidine
CID 176520724
1-carbamimidoyl-2-(2-methoxyethyl)guanidine
CID 176521934
2-[1-[[amino(carbamimidamido)methylidene]amino]propyl]-1-carbamimidoylguanidine
CID 176524679
1-carbamimidoyl-2-(3-methylbutyl)guanidine
CID 176524871
N'-(4-methoxybutan-2-yl)-2,2-dimethylpropanimidamide
CID 64604534
1-carbamimidoyl-2-methylguanidine;hydrochloride
CID 176516778
1-carbamimidoyl-2-(2-ethoxyethyl)guanidine
CID 176530165
1-carbamimidoyl-2-[2-(dimethylamino)propyl]guanidine
CID 176546971
1-carbamimidoyl-2-(1,1-dichloroethyl)guanidine
CID 176527824
1-carbamimidoyl-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 176547006
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine (CID 176546881) is 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine is [H]/N=C(\N)N/C(N)=N/C(C)CCOC.
What is the InChIKey of 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine?
The InChIKey is MLCRKHHZWDELIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O/c1-5(3-4-13-2)11-7(10)12-6(8)9/h5H,3-4H2,1-2H3,(H6,8,9,10,11,12).
What are the key properties of 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine?
1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine has a molecular weight of 187.25 g/mol, XLogP of -0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(4-methoxybutan-2-yl)guanidine is sourced from PubChem (CID 176546881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).