6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane

C15H30N2O — CID 64844424

IUPAC6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC(C)CCOCCN1CCNCC12CCCC2
InChIInChI=1S/C15H30N2O/c1-14(2)5-11-18-12-10-17-9-8-16-13-15(17)6-3-4-7-15/h14,16H,3-13H2,1-2H3
InChIKeyMZNSHWQPHKMJDP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane

6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64844424) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
PubChem CID64844424
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
SMILESCC(C)CCOCCN1CCNCC12CCCC2
InChIInChI=1S/C15H30N2O/c1-14(2)5-11-18-12-10-17-9-8-16-13-15(17)6-3-4-7-15/h14,16H,3-13H2,1-2H3
InChIKeyMZNSHWQPHKMJDP-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
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

1-(2-propan-2-yloxyethyl)-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933414
1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64847001
8-cyclopropyl-6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane
CID 64860926
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
6-decyl-6,9-diazaspiro[4.5]decane
CID 64844428
(5R)-1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonane
CID 97473054
6-[2-(2-methylpropoxy)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 106458569
1-(2-methylsulfonylethyl)-1,4-diazaspiro[5.5]undecane
CID 64845620
2-ethyl-2-methyl-1-[2-(2-methylpropoxy)ethyl]piperazine
CID 106458488
1-[2-(2-methoxyphenoxy)ethyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933584
3,3-dimethyl-1-[2-(2-methylpropoxy)ethyl]-1,4-diazaspiro[5.5]undecane
CID 106458594
3-methyl-3-[2-(3-methylbutoxy)ethoxy]piperidine
CID 107385838

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane (CID 64844424) is 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane is CC(C)CCOCCN1CCNCC12CCCC2.
What is the InChIKey of 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is MZNSHWQPHKMJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2)5-11-18-12-10-17-9-8-16-13-15(17)6-3-4-7-15/h14,16H,3-13H2,1-2H3.
What are the key properties of 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane?
6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylbutoxy)ethyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64844424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).