1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine

C14H32N4O — CID 111692570

IUPAC1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(/NCCCN(C(C)C)C(C)C)NCCOC
InChIInChI=1S/C14H32N4O/c1-12(2)18(13(3)4)10-7-8-16-14(15-5)17-9-11-19-6/h12-13H,7-11H2,1-6H3,(H2,15,16,17)
InChIKeyDQZVSVSUFONUHZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP1.31
Rot. Bonds9

About 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine

1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 111692570) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID111692570
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC Name1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(/NCCCN(C(C)C)C(C)C)NCCOC
InChIInChI=1S/C14H32N4O/c1-12(2)18(13(3)4)10-7-8-16-14(15-5)17-9-11-19-6/h12-13H,7-11H2,1-6H3,(H2,15,16,17)
InChIKeyDQZVSVSUFONUHZ-UHFFFAOYSA-N
XLogP1.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-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

1-[3-[di(propan-2-yl)amino]propyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111691909
1-butyl-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111692306
1-(2-methoxyethyl)-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 110941688
methyl 3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111692185
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111692531
methyl 5-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]pentanoate
CID 111692592
1-(2-methoxyethyl)-2-methyl-3-(3-propan-2-yloxypropyl)guanidine
CID 110941208
1-[3-[di(propan-2-yl)amino]propyl]-3-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111692757
1-[3-[di(propan-2-yl)amino]propyl]-3-[[4-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111691981
tert-butyl N-[3-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]propyl]-N-propan-2-ylcarbamate
CID 110942088
1-[4-(diethylamino)butyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111691494
1-(3-cyclopentyloxypropyl)-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine
CID 111692188

Frequently Asked Questions

What is the IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine (CID 111692570) is 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine is C/N=C(/NCCCN(C(C)C)C(C)C)NCCOC.
What is the InChIKey of 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is DQZVSVSUFONUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-12(2)18(13(3)4)10-7-8-16-14(15-5)17-9-11-19-6/h12-13H,7-11H2,1-6H3,(H2,15,16,17).
What are the key properties of 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine?
1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 272.44 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[di(propan-2-yl)amino]propyl]-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 111692570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).