6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane

C16H32N2 — CID 79445456

IUPAC6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCCC(C)N1CC(CC(C)C)NCC12CCCC2
InChIInChI=1S/C16H32N2/c1-5-14(4)18-11-15(10-13(2)3)17-12-16(18)8-6-7-9-16/h13-15,17H,5-12H2,1-4H3
InChIKeyKGRVDFLHOOVWSA-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds4

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

6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 79445456) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
PubChem CID79445456
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCCC(C)N1CC(CC(C)C)NCC12CCCC2
InChIInChI=1S/C16H32N2/c1-5-14(4)18-11-15(10-13(2)3)17-12-16(18)8-6-7-9-16/h13-15,17H,5-12H2,1-4H3
InChIKeyKGRVDFLHOOVWSA-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane (CID 79445456) is 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane is CCC(C)N1CC(CC(C)C)NCC12CCCC2.
What is the InChIKey of 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is KGRVDFLHOOVWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-14(4)18-11-15(10-13(2)3)17-12-16(18)8-6-7-9-16/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 252.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 79445456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).