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

C11H27N5O — CID 102999143

IUPAC3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN(CCCN(C)C)/C(=N\CCOC)NN
InChIInChI=1S/C11H27N5O/c1-5-16(9-6-8-15(2)3)11(14-12)13-7-10-17-4/h5-10,12H2,1-4H3,(H,13,14)
InChIKeyQJPZKKGSSOUMHN-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.27
Rot. Bonds8

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

3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine (PubChem CID 102999143) has the molecular formula C11H27N5O and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
PubChem CID102999143
Molecular FormulaC11H27N5O
Molecular Weight245.37 g/mol
Exact Mass245.22
IUPAC Name3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
SMILESCCN(CCCN(C)C)/C(=N\CCOC)NN
InChIInChI=1S/C11H27N5O/c1-5-16(9-6-8-15(2)3)11(14-12)13-7-10-17-4/h5-10,12H2,1-4H3,(H,13,14)
InChIKeyQJPZKKGSSOUMHN-UHFFFAOYSA-N
XLogP-0.27
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.27
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The IUPAC name of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine (CID 102999143) is 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine is CCN(CCCN(C)C)/C(=N\CCOC)NN.
What is the InChIKey of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine?
The InChIKey is QJPZKKGSSOUMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5O/c1-5-16(9-6-8-15(2)3)11(14-12)13-7-10-17-4/h5-10,12H2,1-4H3,(H,13,14).
What are the key properties of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine?
3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine has a molecular weight of 245.37 g/mol, XLogP of -0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 102999143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).