3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine

C11H27N5O — CID 103192666

IUPAC3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN(/C(=N/CCOC)NN)C(C)CN(C)C
InChIInChI=1S/C11H27N5O/c1-6-16(10(2)9-15(3)4)11(14-12)13-7-8-17-5/h10H,6-9,12H2,1-5H3,(H,13,14)
InChIKeyXSAGRHFAPMYAMB-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.28
Rot. Bonds7

About 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine

3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine (PubChem CID 103192666) has the molecular formula C11H27N5O and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine
PubChem CID103192666
Molecular FormulaC11H27N5O
Molecular Weight245.37 g/mol
Exact Mass245.22
IUPAC Name3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN(/C(=N/CCOC)NN)C(C)CN(C)C
InChIInChI=1S/C11H27N5O/c1-6-16(10(2)9-15(3)4)11(14-12)13-7-8-17-5/h10H,6-9,12H2,1-5H3,(H,13,14)
InChIKeyXSAGRHFAPMYAMB-UHFFFAOYSA-N
XLogP-0.28
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)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

3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884155
3-Amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884422
3-Amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884431
3-Amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884453
3-Amino-2-(1-methoxypropan-2-yl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884474
N-amino-N'-(1-methoxypropan-2-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 104885928
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887036
3-Amino-1-(2,2-difluoroethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104888973
3-Amino-2-(2-methoxyethyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530245
3-Amino-1-cyclopropyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 113530251
3-Amino-2-(2-methoxyethyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530263
3-Amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(3-methoxypropyl)guanidine
CID 102999138

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The IUPAC name of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine (CID 103192666) is 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine is CCN(/C(=N/CCOC)NN)C(C)CN(C)C.
What is the InChIKey of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The InChIKey is XSAGRHFAPMYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5O/c1-6-16(10(2)9-15(3)4)11(14-12)13-7-8-17-5/h10H,6-9,12H2,1-5H3,(H,13,14).
What are the key properties of 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine?
3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine has a molecular weight of 245.37 g/mol, XLogP of -0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(dimethylamino)propan-2-yl]-1-ethyl-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 103192666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).