8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane

C16H32N2O — CID 64843395

IUPAC8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane
SMILESCOCCCN1CC(C(C)(C)C)NCC12CCCC2
InChIInChI=1S/C16H32N2O/c1-15(2,3)14-12-18(10-7-11-19-4)16(13-17-14)8-5-6-9-16/h14,17H,5-13H2,1-4H3
InChIKeyZKOGNDNWCUIQRQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds4

About 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane

8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64843395) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane
PubChem CID64843395
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane
SMILESCOCCCN1CC(C(C)(C)C)NCC12CCCC2
InChIInChI=1S/C16H32N2O/c1-15(2,3)14-12-18(10-7-11-19-4)16(13-17-14)8-5-6-9-16/h14,17H,5-13H2,1-4H3
InChIKeyZKOGNDNWCUIQRQ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
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-tert-butyl-6-(2,2-difluoroethyl)-6,9-diazaspiro[4.5]decane
CID 64843228
8-tert-butyl-6-[2-(oxolan-2-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 65170578
3-tert-butyl-1-[(E)-3-chloroprop-2-enyl]-1,4-diazaspiro[5.5]undecane
CID 107901579
3-ethyl-1-[2-(2-methoxyethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64842964
8-tert-butyl-6-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64843223
5-tert-butyl-2,2-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine
CID 64842451
5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592078
6-butyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64838046
8-ethyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane
CID 81114428
3-ethyl-1-octyl-1,4-diazaspiro[5.5]undecane
CID 64843543
5-tert-butyl-2-cyclopropyl-1-(3-methoxy-3-methylbutyl)-2-methylpiperazine
CID 103016447
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane (CID 64843395) is 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane is COCCCN1CC(C(C)(C)C)NCC12CCCC2.
What is the InChIKey of 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ZKOGNDNWCUIQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)14-12-18(10-7-11-19-4)16(13-17-14)8-5-6-9-16/h14,17H,5-13H2,1-4H3.
What are the key properties of 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane?
8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 268.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-(3-methoxypropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64843395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).