3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine

C10H24N4O — CID 104882157

IUPAC3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(CCOC)/C(=N/C)NN
InChIInChI=1S/C10H24N4O/c1-5-9(6-2)14(7-8-15-4)10(12-3)13-11/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyTZAATCNYWKOEFJ-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.57
Rot. Bonds6

About 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine

3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine (PubChem CID 104882157) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine.

Molecular Properties

Compound Name3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
PubChem CID104882157
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
SMILESCCC(CC)N(CCOC)/C(=N/C)NN
InChIInChI=1S/C10H24N4O/c1-5-9(6-2)14(7-8-15-4)10(12-3)13-11/h9H,5-8,11H2,1-4H3,(H,12,13)
InChIKeyTZAATCNYWKOEFJ-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-2-(1-methoxypropan-2-yl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884155
3-Amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884422
3-Amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884431
3-Amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884453
3-Amino-2-(1-methoxypropan-2-yl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884474
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887036
3-Amino-1-(2,2-difluoroethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104888973
3-Amino-2-(2-methoxyethyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530245
3-Amino-1-cyclopropyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 113530251
3-Amino-2-(2-methoxyethyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530263
1-(2-Methoxyethyl)-2-methyl-1-pentan-3-ylguanidine
CID 62358418
1-(2-Methoxyethyl)-1-pentan-3-yl-2-propylguanidine
CID 62361472

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine?
The IUPAC name of 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine (CID 104882157) is 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine.
What is the SMILES notation for 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine?
The canonical SMILES for 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine is CCC(CC)N(CCOC)/C(=N/C)NN.
What is the InChIKey of 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine?
The InChIKey is TZAATCNYWKOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-5-9(6-2)14(7-8-15-4)10(12-3)13-11/h9H,5-8,11H2,1-4H3,(H,12,13).
What are the key properties of 3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine?
3-amino-1-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine 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-(2-methoxyethyl)-2-methyl-1-pentan-3-ylguanidine is sourced from PubChem (CID 104882157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).