9-hex-1-en-2-yl-3-azaspiro[5.5]undecane

C16H29N — CID 90739693

IUPAC9-hex-1-en-2-yl-3-azaspiro[5.5]undecane
SMILESC=C(CCCC)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H29N/c1-3-4-5-14(2)15-6-8-16(9-7-15)10-12-17-13-11-16/h15,17H,2-13H2,1H3
InChIKeyNGWGMMIHXUOOHX-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.29
Rot. Bonds4

About 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane

9-hex-1-en-2-yl-3-azaspiro[5.5]undecane (PubChem CID 90739693) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-hex-1-en-2-yl-3-azaspiro[5.5]undecane
PubChem CID90739693
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name9-hex-1-en-2-yl-3-azaspiro[5.5]undecane
SMILESC=C(CCCC)C1CCC2(CCNCC2)CC1
InChIInChI=1S/C16H29N/c1-3-4-5-14(2)15-6-8-16(9-7-15)10-12-17-13-11-16/h15,17H,2-13H2,1H3
InChIKeyNGWGMMIHXUOOHX-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane?
The IUPAC name of 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane (CID 90739693) is 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane?
The canonical SMILES for 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane is C=C(CCCC)C1CCC2(CCNCC2)CC1.
What is the InChIKey of 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane?
The InChIKey is NGWGMMIHXUOOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-4-5-14(2)15-6-8-16(9-7-15)10-12-17-13-11-16/h15,17H,2-13H2,1H3.
What are the key properties of 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane?
9-hex-1-en-2-yl-3-azaspiro[5.5]undecane has a molecular weight of 235.41 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hex-1-en-2-yl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 90739693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).