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

C12H26N4O3 — CID 104888796

IUPAC1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCCOCCCN/C(=N\CC1(OC)CCOC1)NN
InChIInChI=1S/C12H26N4O3/c1-3-18-7-4-6-14-11(16-13)15-9-12(17-2)5-8-19-10-12/h3-10,13H2,1-2H3,(H2,14,15,16)
InChIKeyRCLOWWFWDXKEHE-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.37
Rot. Bonds8

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

1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (PubChem CID 104888796) has the molecular formula C12H26N4O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
PubChem CID104888796
Molecular FormulaC12H26N4O3
Molecular Weight274.36 g/mol
Exact Mass274.20
IUPAC Name1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCCOCCCN/C(=N\CC1(OC)CCOC1)NN
InChIInChI=1S/C12H26N4O3/c1-3-18-7-4-6-14-11(16-13)15-9-12(17-2)5-8-19-10-12/h3-10,13H2,1-2H3,(H2,14,15,16)
InChIKeyRCLOWWFWDXKEHE-UHFFFAOYSA-N
XLogP-0.37
TPSA90.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.37
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

Ethane;1-(hydroxyamino)-2-methyl-3-(oxolan-3-ylmethyl)guanidine
CID 141965283
methoxy-[[N'-methyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]azanium
CID 143419428
1-Ethyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
CID 104704486
2-[(3-Methoxyoxolan-3-yl)methyl]-1-(2-methylpropyl)guanidine
CID 104704489
2-[(3-Methoxyoxolan-3-yl)methyl]-1-propylguanidine
CID 104704492
1-Amino-3-[(3-methoxyoxolan-3-yl)methyl]-2-methylguanidine
CID 104882482
1-Amino-3-(1-methoxypropan-2-yl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882632
1-Amino-3-butyl-2-(oxolan-3-ylmethyl)guanidine
CID 104882633
1-Amino-2-(oxolan-3-ylmethyl)-3-propylguanidine
CID 104882635
1-Amino-3-(3-methoxypropyl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882637
1-Amino-2-(2-methylpropyl)-3-(oxolan-3-ylmethyl)guanidine
CID 104882640
1-Amino-3-(2-methoxyethyl)-2-(oxolan-3-ylmethyl)guanidine
CID 104882642

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (CID 104888796) is 1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is CCOCCCN/C(=N\CC1(OC)CCOC1)NN.
What is the InChIKey of 1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The InChIKey is RCLOWWFWDXKEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O3/c1-3-18-7-4-6-14-11(16-13)15-9-12(17-2)5-8-19-10-12/h3-10,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
1-amino-3-(3-ethoxypropyl)-2-[(3-methoxyoxolan-3-yl)methyl]guanidine has a molecular weight of 274.36 g/mol, XLogP of -0.37, 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-[(3-methoxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 104888796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).