3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine

C11H24N4O — CID 104882561

IUPAC3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
SMILESCOCC(C)/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C11H24N4O/c1-9(8-16-3)13-11(14-12)15(2)7-10-5-4-6-10/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyKFLSAFUYMJGSGZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.57
Rot. Bonds5

About 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine

3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine (PubChem CID 104882561) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
PubChem CID104882561
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
SMILESCOCC(C)/N=C(\NN)N(C)CC1CCC1
InChIInChI=1S/C11H24N4O/c1-9(8-16-3)13-11(14-12)15(2)7-10-5-4-6-10/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyKFLSAFUYMJGSGZ-UHFFFAOYSA-N
XLogP0.57
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
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

N-amino-N'-(1-methoxypropan-2-yl)-4-propan-2-ylpiperidine-1-carboximidamide
CID 103504877
3-Amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-methylguanidine
CID 104882125
3-Amino-1-(cyclobutylmethyl)-2-(3-ethoxypropyl)-1-methylguanidine
CID 104882563
3-Amino-1-(cyclobutylmethyl)-2-(3-methoxypropyl)-1-methylguanidine
CID 104882567
3-Amino-1-(cyclobutylmethyl)-1-methyl-2-propan-2-ylguanidine
CID 104882569
3-Amino-1-(cyclobutylmethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104882572
N-amino-N'-(1-methoxypropan-2-yl)-2-methylpyrrolidine-1-carboximidamide
CID 104882678
N-amino-N'-(2-methoxyethyl)-2-methylpyrrolidine-1-carboximidamide
CID 104882689
3-Amino-1-cyclohexyl-2-(2-methoxyethyl)-1-methylguanidine
CID 104883186
3-Amino-1-cyclohexyl-1-ethyl-2-(1-methoxypropan-2-yl)guanidine
CID 104883196
3-Amino-1-cyclohexyl-1-ethyl-2-(2-methoxyethyl)guanidine
CID 104883204
N-amino-N'-(1-methoxypropan-2-yl)-3,5-dimethylpiperidine-1-carboximidamide
CID 104883205

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The IUPAC name of 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine (CID 104882561) is 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine.
What is the SMILES notation for 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The canonical SMILES for 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine is COCC(C)/N=C(\NN)N(C)CC1CCC1.
What is the InChIKey of 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine?
The InChIKey is KFLSAFUYMJGSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(8-16-3)13-11(14-12)15(2)7-10-5-4-6-10/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine?
3-amino-1-(cyclobutylmethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine has a molecular weight of 228.34 g/mol, XLogP of 0.57, 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-(1-methoxypropan-2-yl)-1-methylguanidine is sourced from PubChem (CID 104882561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).