3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine

C10H24N4O — CID 104883585

IUPAC3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
SMILESCCCN(CC)/C(=N\C(C)COC)NN
InChIInChI=1S/C10H24N4O/c1-5-7-14(6-2)10(13-11)12-9(3)8-15-4/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyOELHILQEQLTZMS-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.57
Rot. Bonds6

About 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine

3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine (PubChem CID 104883585) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
PubChem CID104883585
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine
SMILESCCCN(CC)/C(=N\C(C)COC)NN
InChIInChI=1S/C10H24N4O/c1-5-7-14(6-2)10(13-11)12-9(3)8-15-4/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyOELHILQEQLTZMS-UHFFFAOYSA-N
XLogP0.57
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
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

3-amino-1-butyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
CID 104883410
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104883492
3-amino-1-ethyl-1-(2-ethylbutyl)-2-(1-methoxypropan-2-yl)guanidine
CID 104884792
3-amino-1-(2-ethoxyethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104887482
3-amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104883526
3-amino-1-butyl-1-ethyl-2-propan-2-ylguanidine
CID 104883418
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2-phenylethyl)guanidine
CID 116515417
3-amino-1-cyclopentyl-2-(1-methoxypropan-2-yl)-1-(2-methylpropyl)guanidine
CID 104887549
N'-(1-methoxypropan-2-yl)ethanimidamide
CID 62049796
3-amino-2-(1-methoxypropan-2-yl)-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 104886039
3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-(2-methoxyethyl)guanidine
CID 102999143
3-amino-1-(2-methoxyethyl)-1-(2-methylpropyl)-2-propylguanidine
CID 104884542

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine?
The IUPAC name of 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine (CID 104883585) is 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine.
What is the SMILES notation for 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine?
The canonical SMILES for 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine is CCCN(CC)/C(=N\C(C)COC)NN.
What is the InChIKey of 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine?
The InChIKey is OELHILQEQLTZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-5-7-14(6-2)10(13-11)12-9(3)8-15-4/h9H,5-8,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine?
3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine has a molecular weight of 216.33 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-propylguanidine is sourced from PubChem (CID 104883585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).