1-amino-3-ethyl-2-(2-methoxypropyl)guanidine

C7H18N4O — CID 102702162

IUPAC1-amino-3-ethyl-2-(2-methoxypropyl)guanidine
SMILESCCN/C(=N\CC(C)OC)NN
InChIInChI=1S/C7H18N4O/c1-4-9-7(11-8)10-5-6(2)12-3/h6H,4-5,8H2,1-3H3,(H2,9,10,11)
InChIKeyNXIBVGSKRMDROR-UHFFFAOYSA-N
MW174.25 g/mol
LogP-0.55
Rot. Bonds4

About 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine

1-amino-3-ethyl-2-(2-methoxypropyl)guanidine (PubChem CID 102702162) has the molecular formula C7H18N4O and a molecular weight of 174.25 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-(2-methoxypropyl)guanidine
PubChem CID102702162
Molecular FormulaC7H18N4O
Molecular Weight174.25 g/mol
Exact Mass174.15
IUPAC Name1-amino-3-ethyl-2-(2-methoxypropyl)guanidine
SMILESCCN/C(=N\CC(C)OC)NN
InChIInChI=1S/C7H18N4O/c1-4-9-7(11-8)10-5-6(2)12-3/h6H,4-5,8H2,1-3H3,(H2,9,10,11)
InChIKeyNXIBVGSKRMDROR-UHFFFAOYSA-N
XLogP-0.55
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(2-methoxyethyl)-2-(3,3,3-trifluoropropyl)guanidine
CID 104885809
1-Amino-2-[2-(2,2-difluoroethoxy)ethyl]-3-ethylguanidine
CID 105921612
2-Methyl-1-nitroso-3-(2-propan-2-yloxyethyl)guanidine
CID 166950375
1-Amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-Amino-3-butyl-2-(2-methoxypropyl)guanidine
CID 102702157
1-Amino-3-(2-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 102702159
1-Amino-3-(2-methoxypropyl)-2-methylguanidine
CID 102702160
1-Amino-2-(2-methoxypropyl)-3-propylguanidine
CID 102702161
1-Amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
CID 102702163
1-Amino-3-cyclopropyl-2-(2-methoxypropyl)guanidine
CID 102702165
1-Amino-3-(1-methoxypropan-2-yl)-2-(2-methoxypropyl)guanidine
CID 102702167
1-Amino-3-(2-methoxyethyl)-2-(2-methoxypropyl)guanidine
CID 102702168

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine?
The IUPAC name of 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine (CID 102702162) is 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine is CCN/C(=N\CC(C)OC)NN.
What is the InChIKey of 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine?
The InChIKey is NXIBVGSKRMDROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4O/c1-4-9-7(11-8)10-5-6(2)12-3/h6H,4-5,8H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine?
1-amino-3-ethyl-2-(2-methoxypropyl)guanidine has a molecular weight of 174.25 g/mol, XLogP of -0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-(2-methoxypropyl)guanidine is sourced from PubChem (CID 102702162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).