3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene

C15H27N — CID 170581542

IUPAC3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene
SMILESCCN1CCC2(CC=C(C(C)C)CC2)CC1
InChIInChI=1S/C15H27N/c1-4-16-11-9-15(10-12-16)7-5-14(6-8-15)13(2)3/h5,13H,4,6-12H2,1-3H3
InChIKeyAXSKXYMPMXSMCL-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.85
Rot. Bonds2

About 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene

3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene (PubChem CID 170581542) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene
PubChem CID170581542
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene
SMILESCCN1CCC2(CC=C(C(C)C)CC2)CC1
InChIInChI=1S/C15H27N/c1-4-16-11-9-15(10-12-16)7-5-14(6-8-15)13(2)3/h5,13H,4,6-12H2,1-3H3
InChIKeyAXSKXYMPMXSMCL-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.85
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 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene?
The IUPAC name of 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene (CID 170581542) is 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene.
What is the SMILES notation for 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene?
The canonical SMILES for 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene is CCN1CCC2(CC=C(C(C)C)CC2)CC1.
What is the InChIKey of 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene?
The InChIKey is AXSKXYMPMXSMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-16-11-9-15(10-12-16)7-5-14(6-8-15)13(2)3/h5,13H,4,6-12H2,1-3H3.
What are the key properties of 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene?
3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene has a molecular weight of 221.39 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene is sourced from PubChem (CID 170581542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).