1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine

C15H29N3O2 — CID 111779625

IUPAC1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOCC1CCCO1)NC1CCCC1
InChIInChI=1S/C15H29N3O2/c1-2-16-15(18-13-6-3-4-7-13)17-9-11-19-12-14-8-5-10-20-14/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeyJIVFIYJYIJPJOK-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.68
Rot. Bonds7

About 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine

1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine (PubChem CID 111779625) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
PubChem CID111779625
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
SMILESCCN/C(=N\CCOCC1CCCO1)NC1CCCC1
InChIInChI=1S/C15H29N3O2/c1-2-16-15(18-13-6-3-4-7-13)17-9-11-19-12-14-8-5-10-20-14/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeyJIVFIYJYIJPJOK-UHFFFAOYSA-N
XLogP1.68
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1,3-dicyclopropyl-2-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]guanidine
CID 97219837
1-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316586
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111548891
N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide
CID 111408961
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
1-cyclopentyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110991164
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111786839
1-(2-ethoxyethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111407644
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111768913
1-(3-cyclopentyloxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408958
1-cyclopentyl-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111771216
1-(2-cyclopropylethyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111604611

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine (CID 111779625) is 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine is CCN/C(=N\CCOCC1CCCO1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine?
The InChIKey is JIVFIYJYIJPJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-16-15(18-13-6-3-4-7-13)17-9-11-19-12-14-8-5-10-20-14/h13-14H,2-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine?
1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine has a molecular weight of 283.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine is sourced from PubChem (CID 111779625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).