1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine

C11H27N5O — CID 104882551

IUPAC1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine
SMILESCCOCCC/N=C(\NN)NCCN(C)CC
InChIInChI=1S/C11H27N5O/c1-4-16(3)9-8-14-11(15-12)13-7-6-10-17-5-2/h4-10,12H2,1-3H3,(H2,13,14,15)
InChIKeyYPXNQVCCBXTBHI-UHFFFAOYSA-N
MW245.37 g/mol
LogP-0.23
Rot. Bonds9

About 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine

1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine (PubChem CID 104882551) has the molecular formula C11H27N5O and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine
PubChem CID104882551
Molecular FormulaC11H27N5O
Molecular Weight245.37 g/mol
Exact Mass245.22
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine
SMILESCCOCCC/N=C(\NN)NCCN(C)CC
InChIInChI=1S/C11H27N5O/c1-4-16(3)9-8-14-11(15-12)13-7-6-10-17-5-2/h4-10,12H2,1-3H3,(H2,13,14,15)
InChIKeyYPXNQVCCBXTBHI-UHFFFAOYSA-N
XLogP-0.23
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
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 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine (CID 104882551) is 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine is CCOCCC/N=C(\NN)NCCN(C)CC.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine?
The InChIKey is YPXNQVCCBXTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5O/c1-4-16(3)9-8-14-11(15-12)13-7-6-10-17-5-2/h4-10,12H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine?
1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine has a molecular weight of 245.37 g/mol, XLogP of -0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]guanidine is sourced from PubChem (CID 104882551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).