1-(2-methoxypropyl)-1-methylguanidine

C6H15N3O — CID 18681310

IUPAC1-(2-methoxypropyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC(C)OC
InChIInChI=1S/C6H15N3O/c1-5(10-3)4-9(2)6(7)8/h5H,4H2,1-3H3,(H3,7,8)
InChIKeyRMDASHKJDZHINQ-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.15
Rot. Bonds3

About 1-(2-methoxypropyl)-1-methylguanidine

1-(2-methoxypropyl)-1-methylguanidine (PubChem CID 18681310) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-1-methylguanidine.

Molecular Properties

Compound Name1-(2-methoxypropyl)-1-methylguanidine
PubChem CID18681310
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name1-(2-methoxypropyl)-1-methylguanidine
SMILES[H]/N=C(\N)N(C)CC(C)OC
InChIInChI=1S/C6H15N3O/c1-5(10-3)4-9(2)6(7)8/h5H,4H2,1-3H3,(H3,7,8)
InChIKeyRMDASHKJDZHINQ-UHFFFAOYSA-N
XLogP-0.15
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2-methoxypropyl)-1-methylguanidine 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

2,6-Dimethylmorpholine-4-carboximidamide bromide
CID 45108822
2,6-dimethylmorpholine-4-carboximidamide Hydrobromide
CID 2806562
2,6-Dimethylmorpholine-4-carboximidamide
CID 2806563
2-Methylmorpholine-4-carboximidamide
CID 12011845
1,1-Bis(2-methoxypropyl)guanidine
CID 18681252
1-(2-Methoxyethyl)-1-methylguanidine
CID 18681253
1-(3-Methoxypropyl)-1-methylguanidine
CID 18681274
1-(2-Ethoxyethyl)-1-methylguanidine
CID 18681348
1-(2-Hydroxypropyl)-1-methylguanidine
CID 18681356
1-Ethyl-1-(2-methoxyethyl)guanidine
CID 18952249
1-Cyano-1-(2-methoxyethyl)guanidine
CID 20552225
1-[Carbamimidoyl(methyl)amino]propan-2-yl acetate
CID 53723980

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-1-methylguanidine?
The IUPAC name of 1-(2-methoxypropyl)-1-methylguanidine (CID 18681310) is 1-(2-methoxypropyl)-1-methylguanidine.
What is the SMILES notation for 1-(2-methoxypropyl)-1-methylguanidine?
The canonical SMILES for 1-(2-methoxypropyl)-1-methylguanidine is [H]/N=C(\N)N(C)CC(C)OC.
What is the InChIKey of 1-(2-methoxypropyl)-1-methylguanidine?
The InChIKey is RMDASHKJDZHINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-5(10-3)4-9(2)6(7)8/h5H,4H2,1-3H3,(H3,7,8).
What are the key properties of 1-(2-methoxypropyl)-1-methylguanidine?
1-(2-methoxypropyl)-1-methylguanidine has a molecular weight of 145.21 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-1-methylguanidine is sourced from PubChem (CID 18681310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).