1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine

C9H22N4O — CID 104888645

IUPAC1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine
SMILESCCOC(C)C/N=C(/NN)NC(C)C
InChIInChI=1S/C9H22N4O/c1-5-14-8(4)6-11-9(13-10)12-7(2)3/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13)
InChIKeyJEYPSQZQFFAVDO-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.23
Rot. Bonds5

About 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine

1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine (PubChem CID 104888645) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine
PubChem CID104888645
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine
SMILESCCOC(C)C/N=C(/NN)NC(C)C
InChIInChI=1S/C9H22N4O/c1-5-14-8(4)6-11-9(13-10)12-7(2)3/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13)
InChIKeyJEYPSQZQFFAVDO-UHFFFAOYSA-N
XLogP0.23
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.23
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-cyclopropyl-2-(2-ethoxypropyl)guanidine
CID 104888647
1-amino-3-(2-ethoxypropyl)-2-methylguanidine
CID 104882468
1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine
CID 104888583
1-amino-2-(2-methylpropyl)-3-pentan-3-ylguanidine
CID 104882850
1-amino-2-(2-methoxy-2-methylpropyl)-3-propan-2-ylguanidine
CID 104888779
1-amino-3-(3-ethylpentan-2-yl)-2-(2-methylpropyl)guanidine
CID 104886036
1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine
CID 104888530
1-amino-2-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylguanidine
CID 104889084
1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine
CID 104885602
1-amino-3-hexan-3-yl-2-(2-methylpropyl)guanidine
CID 104884261
1-amino-2-(4-methylsulfanylbutyl)-3-propan-2-ylguanidine
CID 104888519
1-amino-3-(1-methoxypropan-2-yl)-2-(2-piperidin-1-ylpropyl)guanidine
CID 104885271

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine (CID 104888645) is 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine is CCOC(C)C/N=C(/NN)NC(C)C.
What is the InChIKey of 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine?
The InChIKey is JEYPSQZQFFAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-5-14-8(4)6-11-9(13-10)12-7(2)3/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine?
1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine has a molecular weight of 202.30 g/mol, XLogP of 0.23, 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-ethoxypropyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 104888645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).