8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane

C14H28N2 — CID 166948916

IUPAC8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCC(C)(C)C(C1)N(C)C2
InChIInChI=1S/C14H28N2/c1-11(2)16-9-12-6-7-14(3,4)13(10-16)15(5)8-12/h11-13H,6-10H2,1-5H3
InChIKeyVVPJHUUQAAICSA-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.45
Rot. Bonds1

About 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane

8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane (PubChem CID 166948916) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane
PubChem CID166948916
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCC(C)(C)C(C1)N(C)C2
InChIInChI=1S/C14H28N2/c1-11(2)16-9-12-6-7-14(3,4)13(10-16)15(5)8-12/h11-13H,6-10H2,1-5H3
InChIKeyVVPJHUUQAAICSA-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane (CID 166948916) is 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane is CC(C)N1CC2CCC(C)(C)C(C1)N(C)C2.
What is the InChIKey of 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is VVPJHUUQAAICSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)16-9-12-6-7-14(3,4)13(10-16)15(5)8-12/h11-13H,6-10H2,1-5H3.
What are the key properties of 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane?
8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane has a molecular weight of 224.39 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9-trimethyl-3-propan-2-yl-3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 166948916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).