3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine

C13H28N4O — CID 104885141

IUPAC3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
SMILESCOCCN(/C(=N/CC(C)C)NN)C(C)C1CC1
InChIInChI=1S/C13H28N4O/c1-10(2)9-15-13(16-14)17(7-8-18-4)11(3)12-5-6-12/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyMNTAQGHTKDGKDS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.21
Rot. Bonds7

About 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine

3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine (PubChem CID 104885141) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
PubChem CID104885141
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
SMILESCOCCN(/C(=N/CC(C)C)NN)C(C)C1CC1
InChIInChI=1S/C13H28N4O/c1-10(2)9-15-13(16-14)17(7-8-18-4)11(3)12-5-6-12/h10-12H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyMNTAQGHTKDGKDS-UHFFFAOYSA-N
XLogP1.21
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.21
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-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)-2-(2-methylpropyl)guanidine
CID 104885186
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
CID 63583142
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
3-amino-2-(3-ethoxypropyl)-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 104885181
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylpropanehydrazide
CID 63584231
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
N-(1-cyclopropylethyl)-2-(ethylamino)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62834379
3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine
CID 104884602
1-amino-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 54872120

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine (CID 104885141) is 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine is COCCN(/C(=N/CC(C)C)NN)C(C)C1CC1.
What is the InChIKey of 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The InChIKey is MNTAQGHTKDGKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-10(2)9-15-13(16-14)17(7-8-18-4)11(3)12-5-6-12/h10-12H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine has a molecular weight of 256.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 104885141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).