1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine

C10H25N5 — CID 162471610

IUPAC1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine
SMILESCCN/C(=N\CCCN(C)C)NCCN
InChIInChI=1S/C10H25N5/c1-4-12-10(14-8-6-11)13-7-5-9-15(2)3/h4-9,11H2,1-3H3,(H2,12,13,14)
InChIKeyCJDUFEMVNNPPSB-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.55
Rot. Bonds7

About 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine

1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine (PubChem CID 162471610) has the molecular formula C10H25N5 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine
PubChem CID162471610
Molecular FormulaC10H25N5
Molecular Weight215.34 g/mol
Exact Mass215.21
IUPAC Name1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine
SMILESCCN/C(=N\CCCN(C)C)NCCN
InChIInChI=1S/C10H25N5/c1-4-12-10(14-8-6-11)13-7-5-9-15(2)3/h4-9,11H2,1-3H3,(H2,12,13,14)
InChIKeyCJDUFEMVNNPPSB-UHFFFAOYSA-N
XLogP-0.55
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine?
The IUPAC name of 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine (CID 162471610) is 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine.
What is the SMILES notation for 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine?
The canonical SMILES for 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine is CCN/C(=N\CCCN(C)C)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine?
The InChIKey is CJDUFEMVNNPPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N5/c1-4-12-10(14-8-6-11)13-7-5-9-15(2)3/h4-9,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine?
1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine has a molecular weight of 215.34 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-[3-(dimethylamino)propyl]-3-ethylguanidine is sourced from PubChem (CID 162471610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).