(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

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Related Compounds

4-[[(2S,3R,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 146435535
4-[[(2S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166696902
4-[[(2S,3S,4R)-1,2-ditert-butyl-4-fluoropyrrolidin-3-yl]methyl]morpholine
CID 166696958
4-[3-(8,8-Dipropyl-2-azaspiro[4.5]decan-2-yl)propyl]morpholine
CID 15634152
1-Methyl-4-[2-methyl-4-[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]butan-2-yl]oxypiperidine
CID 130400155
4-Tert-butyl-1-[2-[1-[(2-methylpropan-2-yl)oxy]pyrrolidin-3-yl]oxyethyl]piperidine
CID 134582325
4-tert-butyl-1-[[(3R)-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-3-yl]methyl]piperidine
CID 135174763
4-[5-[1-(3,3-Dimethylbutyl)pyrrolidin-3-yl]-4,4-dimethylpentyl]morpholine
CID 139341902
Ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1,4-dimethylpiperidine
CID 142326995
4-Methyl-1-(2-propan-2-yloxyethyl)-4-propylpiperidine
CID 142824881
4-[3-[1-(2,2-Dimethylpropyl)pyrrolidin-3-yl]-2,2-dimethylpropyl]morpholine
CID 155472825
1-Methyl-4-[2-methyl-4-(3-propan-2-yloxypyrrolidin-1-yl)butan-2-yl]oxypiperidine
CID 156168997

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).