4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane

C12H22N2 — CID 166643898

IUPAC4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane
SMILESCC(C)CN1CC2CC3CNC2C1C3
InChIInChI=1S/C12H22N2/c1-8(2)6-14-7-10-3-9-4-11(14)12(10)13-5-9/h8-13H,3-7H2,1-2H3
InChIKeyMXIQZFCFQNHQRY-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.32
Rot. Bonds2

About 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane

4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane (PubChem CID 166643898) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane.

Molecular Properties

Compound Name4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane
PubChem CID166643898
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane
SMILESCC(C)CN1CC2CC3CNC2C1C3
InChIInChI=1S/C12H22N2/c1-8(2)6-14-7-10-3-9-4-11(14)12(10)13-5-9/h8-13H,3-7H2,1-2H3
InChIKeyMXIQZFCFQNHQRY-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane?
The IUPAC name of 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane (CID 166643898) is 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane.
What is the SMILES notation for 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane?
The canonical SMILES for 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane is CC(C)CN1CC2CC3CNC2C1C3.
What is the InChIKey of 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane?
The InChIKey is MXIQZFCFQNHQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-8(2)6-14-7-10-3-9-4-11(14)12(10)13-5-9/h8-13H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane?
4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane has a molecular weight of 194.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-4,8-diazatricyclo[4.3.1.03,7]decane is sourced from PubChem (CID 166643898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).