8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane

C16H32N2 — CID 155627948

IUPAC8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCC(C)(C)C(C1)N(C(C)C)C2
InChIInChI=1S/C16H32N2/c1-12(2)17-9-14-7-8-16(5,6)15(11-17)18(10-14)13(3)4/h12-15H,7-11H2,1-6H3
InChIKeyWFTRFFDRGHWQCI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.23
Rot. Bonds2

About 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane

8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane (PubChem CID 155627948) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
PubChem CID155627948
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCC(C)(C)C(C1)N(C(C)C)C2
InChIInChI=1S/C16H32N2/c1-12(2)17-9-14-7-8-16(5,6)15(11-17)18(10-14)13(3)4/h12-15H,7-11H2,1-6H3
InChIKeyWFTRFFDRGHWQCI-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane (CID 155627948) is 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane is CC(C)N1CC2CCC(C)(C)C(C1)N(C(C)C)C2.
What is the InChIKey of 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is WFTRFFDRGHWQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)17-9-14-7-8-16(5,6)15(11-17)18(10-14)13(3)4/h12-15H,7-11H2,1-6H3.
What are the key properties of 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane has a molecular weight of 252.45 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 155627948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).