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

C15H30N2 — CID 162699556

IUPAC8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
SMILESCC1CCC2CN(C(C)C)CC1N(C(C)C)C2
InChIInChI=1S/C15H30N2/c1-11(2)16-8-14-7-6-13(5)15(10-16)17(9-14)12(3)4/h11-15H,6-10H2,1-5H3
InChIKeyIBBSRLYEMPKWFM-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.84
Rot. Bonds2

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

8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane (PubChem CID 162699556) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
PubChem CID162699556
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
SMILESCC1CCC2CN(C(C)C)CC1N(C(C)C)C2
InChIInChI=1S/C15H30N2/c1-11(2)16-8-14-7-6-13(5)15(10-16)17(9-14)12(3)4/h11-15H,6-10H2,1-5H3
InChIKeyIBBSRLYEMPKWFM-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane (CID 162699556) is 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane is CC1CCC2CN(C(C)C)CC1N(C(C)C)C2.
What is the InChIKey of 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is IBBSRLYEMPKWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-11(2)16-8-14-7-6-13(5)15(10-16)17(9-14)12(3)4/h11-15H,6-10H2,1-5H3.
What are the key properties of 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane has a molecular weight of 238.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 162699556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).