3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine

C10H22N4O — CID 104882572

IUPAC3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine
SMILESCOCC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C10H22N4O/c1-14(8-9-4-3-5-9)10(13-11)12-6-7-15-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyMWMYZVNWOTVNFT-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.18
Rot. Bonds5

About 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine

3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine (PubChem CID 104882572) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine
PubChem CID104882572
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine
SMILESCOCC/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C10H22N4O/c1-14(8-9-4-3-5-9)10(13-11)12-6-7-15-2/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyMWMYZVNWOTVNFT-UHFFFAOYSA-N
XLogP0.18
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(cyclobutylmethyl)-1,2-dimethylguanidine
CID 104881908
3-Amino-1-(2-methoxyethyl)-2-methyl-1-(2-methylpropyl)guanidine
CID 104882066
3-Amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
CID 104882125
3-Amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104882561
3-Amino-2-butyl-1-(cyclobutylmethyl)-1-methylguanidine
CID 104882562
3-Amino-1-(cyclobutylmethyl)-2-(3-ethoxypropyl)-1-methylguanidine
CID 104882563
3-Amino-1-(cyclobutylmethyl)-2-ethyl-1-methylguanidine
CID 104882564
3-Amino-1-(cyclobutylmethyl)-1-methyl-2-propylguanidine
CID 104882565
3-Amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine
CID 104882567
3-Amino-1-(cyclobutylmethyl)-1-methyl-2-(2-methylpropyl)guanidine
CID 104882570
N-amino-N'-(1-methoxypropan-2-yl)-3,5-dimethylpiperidine-1-carboximidamide
CID 104883205
N-amino-N'-(2-methoxyethyl)-3,5-dimethylpiperidine-1-carboximidamide
CID 104883214

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The IUPAC name of 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine (CID 104882572) is 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The canonical SMILES for 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine is COCC/N=C(\NN)N(C)CC1CCC1.
What is the InChIKey of 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine?
The InChIKey is MWMYZVNWOTVNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-14(8-9-4-3-5-9)10(13-11)12-6-7-15-2/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine?
3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine has a molecular weight of 214.31 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine is sourced from PubChem (CID 104882572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).