1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine

C15H29N3O2 — CID 56801544

IUPAC1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\NCCC1CCCO1)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-2-19-11-4-9-16-15(18-13-6-7-13)17-10-8-14-5-3-12-20-14/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeyNEZVGBQTQUHASR-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.68
Rot. Bonds9

About 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine

1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 56801544) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID56801544
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCCOCCC/N=C(\NCCC1CCCO1)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-2-19-11-4-9-16-15(18-13-6-7-13)17-10-8-14-5-3-12-20-14/h13-14H,2-12H2,1H3,(H2,16,17,18)
InChIKeyNEZVGBQTQUHASR-UHFFFAOYSA-N
XLogP1.68
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine (CID 56801544) is 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine is CCOCCC/N=C(\NCCC1CCCO1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is NEZVGBQTQUHASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-19-11-4-9-16-15(18-13-6-7-13)17-10-8-14-5-3-12-20-14/h13-14H,2-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine?
1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 283.42 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-ethoxypropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 56801544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).