1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine

C11H24N4O2 — CID 104883123

IUPAC1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
SMILESCCOCCCN/C(=N\CC1CCCO1)NN
InChIInChI=1S/C11H24N4O2/c1-2-16-7-4-6-13-11(15-12)14-9-10-5-3-8-17-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyUODFESJGTYRQSM-UHFFFAOYSA-N
MW244.34 g/mol
LogP0.00
Rot. Bonds7

About 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine

1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine (PubChem CID 104883123) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
PubChem CID104883123
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
SMILESCCOCCCN/C(=N\CC1CCCO1)NN
InChIInChI=1S/C11H24N4O2/c1-2-16-7-4-6-13-11(15-12)14-9-10-5-3-8-17-10/h10H,2-9,12H2,1H3,(H2,13,14,15)
InChIKeyUODFESJGTYRQSM-UHFFFAOYSA-N
XLogP0.00
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 50.00
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'}

Analyze 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine 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-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine
CID 75534717
1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine
CID 104921113
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-amino-3-(3-ethoxypropyl)guanidine
CID 104887197
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-amino-3-(3-ethoxypropyl)-2-(thian-4-ylmethyl)guanidine
CID 104888608
1-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651785
1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine
CID 110940944
1-amino-3-(3-ethoxypropyl)-2-[(1-ethylpiperidin-4-yl)methyl]guanidine
CID 104885124
1-(2-ethoxyethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407644
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409292
2-(3-ethoxypropyl)-1-[2-(oxolan-2-yl)ethyl]guanidine
CID 111041849
1-ethyl-3-(4-methylpentyl)-2-(oxolan-2-ylmethyl)guanidine
CID 111137863

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine (CID 104883123) is 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine is CCOCCCN/C(=N\CC1CCCO1)NN.
What is the InChIKey of 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine?
The InChIKey is UODFESJGTYRQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-2-16-7-4-6-13-11(15-12)14-9-10-5-3-8-17-10/h10H,2-9,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine?
1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine has a molecular weight of 244.34 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 104883123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).