1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine

C10H20N6O — CID 104887166

IUPAC1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine
SMILESCCOCCCN/C(=N\Cc1cnc[nH]1)NN
InChIInChI=1S/C10H20N6O/c1-2-17-5-3-4-13-10(16-11)14-7-9-6-12-8-15-9/h6,8H,2-5,7,11H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyLXMIEWXYAWMWMI-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.25
Rot. Bonds7

About 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine

1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine (PubChem CID 104887166) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine
PubChem CID104887166
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine
SMILESCCOCCCN/C(=N\Cc1cnc[nH]1)NN
InChIInChI=1S/C10H20N6O/c1-2-17-5-3-4-13-10(16-11)14-7-9-6-12-8-15-9/h6,8H,2-5,7,11H2,1H3,(H,12,15)(H2,13,14,16)
InChIKeyLXMIEWXYAWMWMI-UHFFFAOYSA-N
XLogP-0.25
TPSA100.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
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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Related Compounds

1-amino-2-(1H-imidazol-5-ylmethyl)-3-(3-methoxypropyl)guanidine
CID 104887169
1-amino-3-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 116512385
1-amino-3-(3-ethoxypropyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 104884875
1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 104886521
1-amino-2-[(4,5-dimethylthiophen-2-yl)methyl]-3-(3-ethoxypropyl)guanidine
CID 104886530
1-amino-2-(1,3-benzodioxol-5-ylmethyl)-3-(3-ethoxypropyl)guanidine
CID 116511199
1-amino-3-(3-ethoxypropyl)-2-(2-methyl-3-methylsulfanylpropyl)guanidine
CID 104886195
1-amino-3-(3-ethoxypropyl)-2-(3-phenoxypropyl)guanidine
CID 116513377
1-amino-3-(3-ethoxypropyl)-2-(3-methylsulfonylpropyl)guanidine
CID 104884681
1-amino-2-[[1-(dimethylamino)cyclopentyl]methyl]-3-(3-ethoxypropyl)guanidine
CID 104888113
1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 104883123
1-amino-3-(3-ethoxypropyl)-2-(thian-4-ylmethyl)guanidine
CID 104888608

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine?
The IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine (CID 104887166) is 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine?
The canonical SMILES for 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine is CCOCCCN/C(=N\Cc1cnc[nH]1)NN.
What is the InChIKey of 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine?
The InChIKey is LXMIEWXYAWMWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-2-17-5-3-4-13-10(16-11)14-7-9-6-12-8-15-9/h6,8H,2-5,7,11H2,1H3,(H,12,15)(H2,13,14,16).
What are the key properties of 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine?
1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine has a molecular weight of 240.31 g/mol, XLogP of -0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine is sourced from PubChem (CID 104887166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).