6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C17H34N2O — CID 106458569

IUPAC6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)COCCN1CC(C(C)C)NCC12CCCC2
InChIInChI=1S/C17H34N2O/c1-14(2)12-20-10-9-19-11-16(15(3)4)18-13-17(19)7-5-6-8-17/h14-16,18H,5-13H2,1-4H3
InChIKeyPHMASVCVCXUKFO-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 106458569) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID106458569
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)COCCN1CC(C(C)C)NCC12CCCC2
InChIInChI=1S/C17H34N2O/c1-14(2)12-20-10-9-19-11-16(15(3)4)18-13-17(19)7-5-6-8-17/h14-16,18H,5-13H2,1-4H3
InChIKeyPHMASVCVCXUKFO-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
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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Related Compounds

8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
1-ethyl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64839273
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 106458594
8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64860926
8-butan-2-yl-6-(2-propan-2-yloxyethyl)-6,9-diazaspiro[4.5]decane
CID 64850001
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
1-[(E)-3-chloroprop-2-enyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 107901489
6-[2-(2-methylpyrazol-3-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 103016334
6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64838297
3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80696604
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 106458569) is 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)COCCN1CC(C(C)C)NCC12CCCC2.
What is the InChIKey of 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is PHMASVCVCXUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)12-20-10-9-19-11-16(15(3)4)18-13-17(19)7-5-6-8-17/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 106458569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).