N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine

C18H32N2O4 — CID 15946639

IUPACN-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
SMILESC1CCC2(CC1)OOC1(CCC(NCCN3CCCC3)CC1)OO2
InChIInChI=1S/C18H32N2O4/c1-2-8-17(9-3-1)21-23-18(24-22-17)10-6-16(7-11-18)19-12-15-20-13-4-5-14-20/h16,19H,1-15H2
InChIKeyUJOQTGSKVYRFII-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.88
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine

N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine (PubChem CID 15946639) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
PubChem CID15946639
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
SMILESC1CCC2(CC1)OOC1(CCC(NCCN3CCCC3)CC1)OO2
InChIInChI=1S/C18H32N2O4/c1-2-8-17(9-3-1)21-23-18(24-22-17)10-6-16(7-11-18)19-12-15-20-13-4-5-14-20/h16,19H,1-15H2
InChIKeyUJOQTGSKVYRFII-UHFFFAOYSA-N
XLogP2.88
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine (CID 15946639) is N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine is C1CCC2(CC1)OOC1(CCC(NCCN3CCCC3)CC1)OO2.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine?
The InChIKey is UJOQTGSKVYRFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-2-8-17(9-3-1)21-23-18(24-22-17)10-6-16(7-11-18)19-12-15-20-13-4-5-14-20/h16,19H,1-15H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine?
N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine has a molecular weight of 340.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine is sourced from PubChem (CID 15946639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).