2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane

C17H34N2 — CID 164847437

IUPAC2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)C1CC2(CCN(C(C)C)C2)CCN1C(C)C
InChIInChI=1S/C17H34N2/c1-13(2)16-11-17(8-10-19(16)15(5)6)7-9-18(12-17)14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyMPXRLUPUHXFWEV-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.62
Rot. Bonds3

About 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane

2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 164847437) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane
PubChem CID164847437
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane
SMILESCC(C)C1CC2(CCN(C(C)C)C2)CCN1C(C)C
InChIInChI=1S/C17H34N2/c1-13(2)16-11-17(8-10-19(16)15(5)6)7-9-18(12-17)14(3)4/h13-16H,7-12H2,1-6H3
InChIKeyMPXRLUPUHXFWEV-UHFFFAOYSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane (CID 164847437) is 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane is CC(C)C1CC2(CCN(C(C)C)C2)CCN1C(C)C.
What is the InChIKey of 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is MPXRLUPUHXFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)16-11-17(8-10-19(16)15(5)6)7-9-18(12-17)14(3)4/h13-16H,7-12H2,1-6H3.
What are the key properties of 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane?
2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane has a molecular weight of 266.47 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8-tri(propan-2-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 164847437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).