1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine

C13H29N5O2 — CID 104921113

IUPAC1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine
SMILESCCOCCCN/C(=N\CC1CN(CC)CCO1)NN
InChIInChI=1S/C13H29N5O2/c1-3-18-7-9-20-12(11-18)10-16-13(17-14)15-6-5-8-19-4-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyIRGSWCMEWRJAEG-UHFFFAOYSA-N
MW287.41 g/mol
LogP-0.46
Rot. Bonds8

About 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine

1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine (PubChem CID 104921113) has the molecular formula C13H29N5O2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine
PubChem CID104921113
Molecular FormulaC13H29N5O2
Molecular Weight287.41 g/mol
Exact Mass287.23
IUPAC Name1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine
SMILESCCOCCCN/C(=N\CC1CN(CC)CCO1)NN
InChIInChI=1S/C13H29N5O2/c1-3-18-7-9-20-12(11-18)10-16-13(17-14)15-6-5-8-19-4-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyIRGSWCMEWRJAEG-UHFFFAOYSA-N
XLogP-0.46
TPSA84.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 104883123
1-amino-3-(3-ethoxypropyl)-2-[(1-ethylpiperidin-4-yl)methyl]guanidine
CID 104885124
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-amino-2-[(1-ethylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)guanidine
CID 104885128
1-amino-3-(3-ethoxypropyl)-2-(thian-4-ylmethyl)guanidine
CID 104888608
1-ethyl-2-[(4-methylmorpholin-2-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409292
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667214
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408874
1-ethyl-3-[3-[(4-methoxyphenyl)methoxy]propyl]-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369011
1-(3-cyclopropylpropyl)-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111796988
1-amino-3-(3-ethoxypropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 104888188
1-(3-ethoxypropyl)-3-(1-methoxypropan-2-yl)-2-(oxolan-2-ylmethyl)guanidine
CID 75534717

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine (CID 104921113) is 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine is CCOCCCN/C(=N\CC1CN(CC)CCO1)NN.
What is the InChIKey of 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine?
The InChIKey is IRGSWCMEWRJAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O2/c1-3-18-7-9-20-12(11-18)10-16-13(17-14)15-6-5-8-19-4-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine?
1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine has a molecular weight of 287.41 g/mol, XLogP of -0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-ethoxypropyl)-2-[(4-ethylmorpholin-2-yl)methyl]guanidine is sourced from PubChem (CID 104921113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).