2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene

C16H29N — CID 20508991

IUPAC2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene
SMILESCCCCN1CCCC2(C=CCCC2)C1CC
InChIInChI=1S/C16H29N/c1-3-5-13-17-14-9-12-16(15(17)4-2)10-7-6-8-11-16/h7,10,15H,3-6,8-9,11-14H2,1-2H3
InChIKeyURGKXSONNPEGLB-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.39
Rot. Bonds4

About 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene

2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene (PubChem CID 20508991) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene.

Molecular Properties

Compound Name2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene
PubChem CID20508991
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene
SMILESCCCCN1CCCC2(C=CCCC2)C1CC
InChIInChI=1S/C16H29N/c1-3-5-13-17-14-9-12-16(15(17)4-2)10-7-6-8-11-16/h7,10,15H,3-6,8-9,11-14H2,1-2H3
InChIKeyURGKXSONNPEGLB-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
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 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene?
The IUPAC name of 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene (CID 20508991) is 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene.
What is the SMILES notation for 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene?
The canonical SMILES for 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene is CCCCN1CCCC2(C=CCCC2)C1CC.
What is the InChIKey of 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene?
The InChIKey is URGKXSONNPEGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-3-5-13-17-14-9-12-16(15(17)4-2)10-7-6-8-11-16/h7,10,15H,3-6,8-9,11-14H2,1-2H3.
What are the key properties of 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene?
2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene has a molecular weight of 235.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene is sourced from PubChem (CID 20508991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).