1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine

C11H26N4O — CID 110941480

IUPAC1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NCC(C)(C)N(C)C
InChIInChI=1S/C11H26N4O/c1-11(2,15(4)5)9-14-10(12-3)13-7-8-16-6/h7-9H2,1-6H3,(H2,12,13,14)
InChIKeyMZWFUIFOSSMINW-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.14
Rot. Bonds6

About 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine

1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine (PubChem CID 110941480) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
PubChem CID110941480
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
SMILESC/N=C(\NCCOC)NCC(C)(C)N(C)C
InChIInChI=1S/C11H26N4O/c1-11(2,15(4)5)9-14-10(12-3)13-7-8-16-6/h7-9H2,1-6H3,(H2,12,13,14)
InChIKeyMZWFUIFOSSMINW-UHFFFAOYSA-N
XLogP0.14
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.14
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'}

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Related Compounds

1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)-2-methylguanidine
CID 111605777
1-[2-(dimethylamino)-2-methylpropyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978551
1-[2-(2-methoxyethoxy)ethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110939828
1-[2-(methanesulfonamido)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111779047
1-(2-methoxyethyl)-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 110941688
1-[2-(dimethylamino)-2-methylpropyl]-3-[3-(4-methoxyphenyl)butyl]-2-methylguanidine
CID 111641156
1-(2-methoxyethyl)-2-methyl-3-[2-methyl-2-(2-methylphenyl)propyl]guanidine
CID 110940214
1-[2-(dimethylamino)-2-methylpropyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111183260
1-(2,2-dimethyl-3-phenylpropyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 111619107
N-tert-butyl-2-[[N-[2-(dimethylamino)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111383187
1-[2-(dimethylamino)-2-methylpropyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111646605
1-(2-methoxyethyl)-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 110941607

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine (CID 110941480) is 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine is C/N=C(\NCCOC)NCC(C)(C)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is MZWFUIFOSSMINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-11(2,15(4)5)9-14-10(12-3)13-7-8-16-6/h7-9H2,1-6H3,(H2,12,13,14).
What are the key properties of 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine?
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 230.36 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 110941480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).