9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane

C13H24N2 — CID 107901364

IUPAC9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)=CCN1CCNC2(CCCC2)C1
InChIInChI=1S/C13H24N2/c1-12(2)5-9-15-10-8-14-13(11-15)6-3-4-7-13/h5,14H,3-4,6-11H2,1-2H3
InChIKeyKTYGQDZWLMFJET-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.17
Rot. Bonds2

About 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane

9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane (PubChem CID 107901364) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
PubChem CID107901364
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)=CCN1CCNC2(CCCC2)C1
InChIInChI=1S/C13H24N2/c1-12(2)5-9-15-10-8-14-13(11-15)6-3-4-7-13/h5,14H,3-4,6-11H2,1-2H3
InChIKeyKTYGQDZWLMFJET-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.17
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

4-[(1-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64954612
9-methyl-10-(3-methylbut-2-enyl)-6,10-diazaspiro[4.6]undecane
CID 114014155
4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64833666
4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79351240
4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64834277
9-(2-methylbutyl)-6,9-diazaspiro[4.5]decane
CID 64833062
4-decyl-1,4-diazaspiro[5.5]undecane
CID 64831885
ethane;7-ethyl-4,7-diazaspiro[2.5]octane
CID 176567452
8-ethyl-1,8-diazaspiro[5.5]undecane
CID 83618601
9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane
CID 106458471
9-(3-ethylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 65097156
9-(2-methyl-2-methylsulfonylpropyl)-6,9-diazaspiro[4.5]decane
CID 79550121

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane (CID 107901364) is 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane is CC(C)=CCN1CCNC2(CCCC2)C1.
What is the InChIKey of 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is KTYGQDZWLMFJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2)5-9-15-10-8-14-13(11-15)6-3-4-7-13/h5,14H,3-4,6-11H2,1-2H3.
What are the key properties of 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane?
9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 208.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 107901364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).