4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane

C15H28N2 — CID 64878190

IUPAC4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESC=CCN1CC2(CCCCC2)NCC1CCC
InChIInChI=1S/C15H28N2/c1-3-8-14-12-16-15(9-6-5-7-10-15)13-17(14)11-4-2/h4,14,16H,2-3,5-13H2,1H3
InChIKeyVJLNVUGEDKKFGR-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds4

About 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane

4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64878190) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane
PubChem CID64878190
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane
SMILESC=CCN1CC2(CCCCC2)NCC1CCC
InChIInChI=1S/C15H28N2/c1-3-8-14-12-16-15(9-6-5-7-10-15)13-17(14)11-4-2/h4,14,16H,2-3,5-13H2,1H3
InChIKeyVJLNVUGEDKKFGR-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

4-ethyl-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64877421
9-heptyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64878326
3-benzyl-4-prop-2-enyl-1,4-diazaspiro[5.5]undecane
CID 64878013
3-propyl-4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64878189
9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64876848
4-[(1-methyltriazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 107055925
9-(2-cyclohexylethyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934961
9-[(5-methyl-3-pyridinyl)methyl]-8-propyl-6,9-diazaspiro[4.5]decane
CID 102879622
3,4-bis(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64876468
3-ethyl-4-hexan-3-yl-1,4-diazaspiro[5.5]undecane
CID 64945645
9-[(E)-3-chloroprop-2-enyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 114014122

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane (CID 64878190) is 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane is C=CCN1CC2(CCCCC2)NCC1CCC.
What is the InChIKey of 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is VJLNVUGEDKKFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-8-14-12-16-15(9-6-5-7-10-15)13-17(14)11-4-2/h4,14,16H,2-3,5-13H2,1H3.
What are the key properties of 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane?
4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 236.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-3-propyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64878190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).