(5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane

C18H36N2O2 — CID 176678662

IUPAC(5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCC(C)OCCN1CCC[C@@]2(CCN(CCOC(C)C)C2)C1
InChIInChI=1S/C18H36N2O2/c1-16(2)21-12-10-19-8-5-6-18(14-19)7-9-20(15-18)11-13-22-17(3)4/h16-17H,5-15H2,1-4H3/t18-/m1/s1
InChIKeyWXRSQQDZOMCYQV-GOSISDBHSA-N
MW312.50 g/mol
LogP2.62
Rot. Bonds8

About (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane

(5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 176678662) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID176678662
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name(5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCC(C)OCCN1CCC[C@@]2(CCN(CCOC(C)C)C2)C1
InChIInChI=1S/C18H36N2O2/c1-16(2)21-12-10-19-8-5-6-18(14-19)7-9-20(15-18)11-13-22-17(3)4/h16-17H,5-15H2,1-4H3/t18-/m1/s1
InChIKeyWXRSQQDZOMCYQV-GOSISDBHSA-N
XLogP2.62
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane (CID 176678662) is (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane is CC(C)OCCN1CCC[C@@]2(CCN(CCOC(C)C)C2)C1.
What is the InChIKey of (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is WXRSQQDZOMCYQV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-16(2)21-12-10-19-8-5-6-18(14-19)7-9-20(15-18)11-13-22-17(3)4/h16-17H,5-15H2,1-4H3/t18-/m1/s1.
What are the key properties of (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane?
(5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 312.50 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,9-bis(2-propan-2-yloxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 176678662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).