[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine

C12H23NO2 — CID 104509396

IUPAC[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
SMILESCCOCCC1(CN)CCOC1C1CC1
InChIInChI=1S/C12H23NO2/c1-2-14-7-5-12(9-13)6-8-15-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyZTUBTSAIRKEZCK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.56
Rot. Bonds6

About [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine

[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine (PubChem CID 104509396) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
PubChem CID104509396
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine
SMILESCCOCCC1(CN)CCOC1C1CC1
InChIInChI=1S/C12H23NO2/c1-2-14-7-5-12(9-13)6-8-15-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3
InChIKeyZTUBTSAIRKEZCK-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine (CID 104509396) is [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine is CCOCCC1(CN)CCOC1C1CC1.
What is the InChIKey of [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine?
The InChIKey is ZTUBTSAIRKEZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-14-7-5-12(9-13)6-8-15-11(12)10-3-4-10/h10-11H,2-9,13H2,1H3.
What are the key properties of [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine?
[2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine has a molecular weight of 213.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-3-(2-ethoxyethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 104509396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).