3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine

C11H24N4O — CID 104885884

IUPAC3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
SMILESCOCCCN(C)/C(=N\C1CCCC1)NN
InChIInChI=1S/C11H24N4O/c1-15(8-5-9-16-2)11(14-12)13-10-6-3-4-7-10/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyGLFOWDZMFQGNKD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.72
Rot. Bonds5

About 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine

3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine (PubChem CID 104885884) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine.

Molecular Properties

Compound Name3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
PubChem CID104885884
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine
SMILESCOCCCN(C)/C(=N\C1CCCC1)NN
InChIInChI=1S/C11H24N4O/c1-15(8-5-9-16-2)11(14-12)13-10-6-3-4-7-10/h10H,3-9,12H2,1-2H3,(H,13,14)
InChIKeyGLFOWDZMFQGNKD-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
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-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
2-cyclohexyl-1-(3-methoxypropyl)-1-methylguanidine
CID 63009383
3-amino-2-cyclohexyl-1-(2-ethoxyethyl)-1-methylguanidine
CID 104887487
3-amino-2-cyclohexyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887040
3-amino-2-cyclopropyl-1,1-bis(2-methoxyethyl)guanidine
CID 104885359
3-amino-2-cyclopentyl-1-(2,2-dimethylpropyl)-1-methylguanidine
CID 104885238
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
3-amino-2-cyclohexyl-1,1-dimethylguanidine
CID 104883392
3-amino-1-(cyclopentylmethyl)-2-cyclopropyl-1-methylguanidine
CID 104886066
3-amino-2-butyl-1-(3-methoxypropyl)-1-methylguanidine
CID 104885878
3-amino-2-cyclopentyl-1-methyl-1-(2-methylbutyl)guanidine
CID 104883686
2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62361862

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine?
The IUPAC name of 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine (CID 104885884) is 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine.
What is the SMILES notation for 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine?
The canonical SMILES for 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine is COCCCN(C)/C(=N\C1CCCC1)NN.
What is the InChIKey of 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine?
The InChIKey is GLFOWDZMFQGNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-15(8-5-9-16-2)11(14-12)13-10-6-3-4-7-10/h10H,3-9,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine?
3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine has a molecular weight of 228.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclopentyl-1-(3-methoxypropyl)-1-methylguanidine is sourced from PubChem (CID 104885884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).