2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane

C16H25N — CID 142511976

IUPAC2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane
SMILESC=C(/C=C\C(C)=C/C)N1CC2(CCCCC2)C1
InChIInChI=1S/C16H25N/c1-4-14(2)8-9-15(3)17-12-16(13-17)10-6-5-7-11-16/h4,8-9H,3,5-7,10-13H2,1-2H3/b9-8-,14-4-
InChIKeyIOHQIMYGITVVEP-SLJPAIGHSA-N
MW231.38 g/mol
LogP4.29
Rot. Bonds3

About 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane

2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane (PubChem CID 142511976) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane
PubChem CID142511976
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane
SMILESC=C(/C=C\C(C)=C/C)N1CC2(CCCCC2)C1
InChIInChI=1S/C16H25N/c1-4-14(2)8-9-15(3)17-12-16(13-17)10-6-5-7-11-16/h4,8-9H,3,5-7,10-13H2,1-2H3/b9-8-,14-4-
InChIKeyIOHQIMYGITVVEP-SLJPAIGHSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane?
The IUPAC name of 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane (CID 142511976) is 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane is C=C(/C=C\C(C)=C/C)N1CC2(CCCCC2)C1.
What is the InChIKey of 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane?
The InChIKey is IOHQIMYGITVVEP-SLJPAIGHSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14(2)8-9-15(3)17-12-16(13-17)10-6-5-7-11-16/h4,8-9H,3,5-7,10-13H2,1-2H3/b9-8-,14-4-.
What are the key properties of 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane?
2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane has a molecular weight of 231.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 142511976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).