8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane

C16H30N2 — CID 107898013

IUPAC8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane
SMILESC/C=C/CN1CC(C(C)CC)NCC12CCCC2
InChIInChI=1S/C16H30N2/c1-4-6-11-18-12-15(14(3)5-2)17-13-16(18)9-7-8-10-16/h4,6,14-15,17H,5,7-13H2,1-3H3/b6-4+
InChIKeyRYGUTQUXNNEMGR-GQCTYLIASA-N
MW250.43 g/mol
LogP3.20
Rot. Bonds4

About 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane

8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane (PubChem CID 107898013) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane
PubChem CID107898013
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane
SMILESC/C=C/CN1CC(C(C)CC)NCC12CCCC2
InChIInChI=1S/C16H30N2/c1-4-6-11-18-12-15(14(3)5-2)17-13-16(18)9-7-8-10-16/h4,6,14-15,17H,5,7-13H2,1-3H3/b6-4+
InChIKeyRYGUTQUXNNEMGR-GQCTYLIASA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane (CID 107898013) is 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane is C/C=C/CN1CC(C(C)CC)NCC12CCCC2.
What is the InChIKey of 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is RYGUTQUXNNEMGR-GQCTYLIASA-N. The full InChI is InChI=1S/C16H30N2/c1-4-6-11-18-12-15(14(3)5-2)17-13-16(18)9-7-8-10-16/h4,6,14-15,17H,5,7-13H2,1-3H3/b6-4+.
What are the key properties of 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane?
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 250.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 107898013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).