9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane

C15H28N2 — CID 114014155

IUPAC9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane
SMILESCC(C)=CCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C15H28N2/c1-13(2)7-11-17-12-15(8-4-5-9-15)16-10-6-14(17)3/h7,14,16H,4-6,8-12H2,1-3H3
InChIKeyKWIWMNYWYFXQIA-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds2

About 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane

9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 114014155) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane
PubChem CID114014155
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane
SMILESCC(C)=CCN1CC2(CCCC2)NCCC1C
InChIInChI=1S/C15H28N2/c1-13(2)7-11-17-12-15(8-4-5-9-15)16-10-6-14(17)3/h7,14,16H,4-6,8-12H2,1-3H3
InChIKeyKWIWMNYWYFXQIA-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

10-methyl-11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64870179
10-methyl-11-(2,2,2-trifluoroethyl)-7,11-diazaspiro[5.6]dodecane
CID 64871366
10-(3-fluoropropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 81113015
11-(2,2-difluoroethyl)-10-methyl-7,11-diazaspiro[5.6]dodecane
CID 64871559
9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
CID 107901364
10-(2-ethylsulfonylethyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 106733398
3,7-dimethyl-1-(3-methylbut-2-enyl)-3-phenyl-1,4-diazepane
CID 107901961
10-(3-ethoxypropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 65178467
10-(3-ethylsulfanylpropyl)-9-methyl-6,10-diazaspiro[4.6]undecane
CID 113474602
9-methyl-10-[2-(oxolan-2-yl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 65170391
9-methyl-10-[(2-methyltetrazol-5-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107056270
9-methyl-10-(2-propan-2-ylsulfonylethyl)-6,10-diazaspiro[4.6]undecane
CID 106733400

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane (CID 114014155) is 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane is CC(C)=CCN1CC2(CCCC2)NCCC1C.
What is the InChIKey of 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is KWIWMNYWYFXQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13(2)7-11-17-12-15(8-4-5-9-15)16-10-6-14(17)3/h7,14,16H,4-6,8-12H2,1-3H3.
What are the key properties of 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane?
9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 236.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 114014155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).