2-cyclopentyloxyguanidine

C6H13N3O — CID 55290146

IUPAC2-cyclopentyloxyguanidine
SMILESNC(N)=NOC1CCCC1
InChIInChI=1S/C6H13N3O/c7-6(8)9-10-5-3-1-2-4-5/h5H,1-4H2,(H4,7,8,9)
InChIKeyOUCWVALCVUWZCA-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.13
Rot. Bonds2

About 2-cyclopentyloxyguanidine

2-cyclopentyloxyguanidine (PubChem CID 55290146) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-cyclopentyloxyguanidine.

Molecular Properties

Compound Name2-cyclopentyloxyguanidine
PubChem CID55290146
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-cyclopentyloxyguanidine
SMILESNC(N)=NOC1CCCC1
InChIInChI=1S/C6H13N3O/c7-6(8)9-10-5-3-1-2-4-5/h5H,1-4H2,(H4,7,8,9)
InChIKeyOUCWVALCVUWZCA-UHFFFAOYSA-N
XLogP0.13
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-cyclohexyloxypropan-2-imine
CID 130635287
methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride
CID 161104805
cyclohexyl nitrite;nitrous acid
CID 174432355
[amino(cyclopentyloxy)methylidene]azanium
CID 101075675
N-cyclopropyloxypropan-2-imine
CID 175552910
2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetic acid
CID 54111164
(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclopentyloxyiminoacetaldehyde
CID 173377652
2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoethanethioic S-acid
CID 54129320
3-cyclopentyloxy-N'-hydroxy-2-methylpropanimidamide
CID 43368378
N-cyclopentyloxyspiro[2.3]hexan-5-imine
CID 130719576
2-(2-amino-1,3-thiazol-4-yl)-2-cycloheptyloxyiminoacetaldehyde
CID 54342715
cyclohexane;hydroperoxycyclohexane
CID 88671084

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxyguanidine?
The IUPAC name of 2-cyclopentyloxyguanidine (CID 55290146) is 2-cyclopentyloxyguanidine.
What is the SMILES notation for 2-cyclopentyloxyguanidine?
The canonical SMILES for 2-cyclopentyloxyguanidine is NC(N)=NOC1CCCC1.
What is the InChIKey of 2-cyclopentyloxyguanidine?
The InChIKey is OUCWVALCVUWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(8)9-10-5-3-1-2-4-5/h5H,1-4H2,(H4,7,8,9).
What are the key properties of 2-cyclopentyloxyguanidine?
2-cyclopentyloxyguanidine has a molecular weight of 143.19 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxyguanidine is sourced from PubChem (CID 55290146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).