1-amino-2-(2-methoxypropyl)-3-propylguanidine

C8H20N4O — CID 102702161

IUPAC1-amino-2-(2-methoxypropyl)-3-propylguanidine
SMILESCCCN/C(=N\CC(C)OC)NN
InChIInChI=1S/C8H20N4O/c1-4-5-10-8(12-9)11-6-7(2)13-3/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyQEXYUBOIQLFRJK-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.16
Rot. Bonds5

About 1-amino-2-(2-methoxypropyl)-3-propylguanidine

1-amino-2-(2-methoxypropyl)-3-propylguanidine (PubChem CID 102702161) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-amino-2-(2-methoxypropyl)-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-methoxypropyl)-3-propylguanidine
PubChem CID102702161
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name1-amino-2-(2-methoxypropyl)-3-propylguanidine
SMILESCCCN/C(=N\CC(C)OC)NN
InChIInChI=1S/C8H20N4O/c1-4-5-10-8(12-9)11-6-7(2)13-3/h7H,4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyQEXYUBOIQLFRJK-UHFFFAOYSA-N
XLogP-0.16
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.16
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-2-(2-methoxyethyl)-3-(4,4,4-trifluorobutan-2-yl)guanidine
CID 105937751
1-Amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-Amino-3-butyl-2-(2-methoxypropyl)guanidine
CID 102702157
1-Amino-3-cyclohexyl-2-(2-methoxypropyl)guanidine
CID 102702158
1-Amino-3-(2-methoxypropyl)-2-(2-methylpropyl)guanidine
CID 102702159
1-Amino-3-(2-methoxypropyl)-2-methylguanidine
CID 102702160
1-Amino-3-ethyl-2-(2-methoxypropyl)guanidine
CID 102702162
1-Amino-2-(2-methoxypropyl)-3-propan-2-ylguanidine
CID 102702163
1-Amino-3-cyclopentyl-2-(2-methoxypropyl)guanidine
CID 102702164
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-2-(2-methoxypropyl)-3-propylguanidine?
The IUPAC name of 1-amino-2-(2-methoxypropyl)-3-propylguanidine (CID 102702161) is 1-amino-2-(2-methoxypropyl)-3-propylguanidine.
What is the SMILES notation for 1-amino-2-(2-methoxypropyl)-3-propylguanidine?
The canonical SMILES for 1-amino-2-(2-methoxypropyl)-3-propylguanidine is CCCN/C(=N\CC(C)OC)NN.
What is the InChIKey of 1-amino-2-(2-methoxypropyl)-3-propylguanidine?
The InChIKey is QEXYUBOIQLFRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-4-5-10-8(12-9)11-6-7(2)13-3/h7H,4-6,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-amino-2-(2-methoxypropyl)-3-propylguanidine?
1-amino-2-(2-methoxypropyl)-3-propylguanidine has a molecular weight of 188.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methoxypropyl)-3-propylguanidine is sourced from PubChem (CID 102702161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).