1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine

C12H21N3O — CID 119149140

IUPAC1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCCOC1CCCC1
InChIInChI=1S/C12H21N3O/c1-3-8-14-12(13-2)15-9-10-16-11-6-4-5-7-11/h1,11H,4-10H2,2H3,(H2,13,14,15)
InChIKeyOHADERANVKZRFY-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.74
Rot. Bonds5

About 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine

1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine (PubChem CID 119149140) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine
PubChem CID119149140
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N\C)NCCOC1CCCC1
InChIInChI=1S/C12H21N3O/c1-3-8-14-12(13-2)15-9-10-16-11-6-4-5-7-11/h1,11H,4-10H2,2H3,(H2,13,14,15)
InChIKeyOHADERANVKZRFY-UHFFFAOYSA-N
XLogP0.74
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[N-(2-cycloheptyloxyethyl)-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111575968
N-(2-cyclopentyloxyethyl)prop-2-yn-1-amine
CID 62567244
1-(2-cycloheptyloxyethyl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111575416
1-(3-cyclopentyloxypropyl)-2-methyl-3-(4-methylpentyl)guanidine
CID 111943805
propan-2-yl 3-[[N-(2-cycloheptyloxyethyl)-N'-methylcarbamimidoyl]amino]propanoate
CID 111575563
1-(2-cycloheptyloxyethyl)-2-methyl-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111576077
1-(3-cyclopentyloxypropyl)-3-(4-ethoxybutyl)-2-methylguanidine
CID 111946277
1-(3-cyclohexyloxypropyl)-2-methyl-3-(2-methylpropyl)guanidine
CID 111178790
1-(3-cyclopentyloxypropyl)-2-methyl-3-(2-methylsulfanylethyl)guanidine
CID 111346015
1-(3-cyclopentyloxypropyl)-2-methyl-3-(2-piperidin-1-ylethyl)guanidine
CID 111417031
2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine
CID 136923844
1-(3-cyclohexyloxypropyl)-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111398059

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine?
The IUPAC name of 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine (CID 119149140) is 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine?
The canonical SMILES for 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine is C#CCN/C(=N\C)NCCOC1CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine?
The InChIKey is OHADERANVKZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-8-14-12(13-2)15-9-10-16-11-6-4-5-7-11/h1,11H,4-10H2,2H3,(H2,13,14,15).
What are the key properties of 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine?
1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine has a molecular weight of 223.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethyl)-2-methyl-3-prop-2-ynylguanidine is sourced from PubChem (CID 119149140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).