11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane

C22H41N — CID 138727381

IUPAC11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane
SMILESCC(C)N1C2CCCCCCCCC2C2CCCCCCCC21
InChIInChI=1S/C22H41N/c1-18(2)23-21-16-12-8-4-3-6-10-14-19(21)20-15-11-7-5-9-13-17-22(20)23/h18-22H,3-17H2,1-2H3
InChIKeyDVODYKNGHWVQRF-UHFFFAOYSA-N
MW319.58 g/mol
LogP6.56
Rot. Bonds1

About 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane

11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane (PubChem CID 138727381) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane.

Molecular Properties

Compound Name11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane
PubChem CID138727381
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane
SMILESCC(C)N1C2CCCCCCCCC2C2CCCCCCCC21
InChIInChI=1S/C22H41N/c1-18(2)23-21-16-12-8-4-3-6-10-14-19(21)20-15-11-7-5-9-13-17-22(20)23/h18-22H,3-17H2,1-2H3
InChIKeyDVODYKNGHWVQRF-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane?
The IUPAC name of 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane (CID 138727381) is 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane.
What is the SMILES notation for 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane?
The canonical SMILES for 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane is CC(C)N1C2CCCCCCCCC2C2CCCCCCCC21.
What is the InChIKey of 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane?
The InChIKey is DVODYKNGHWVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-18(2)23-21-16-12-8-4-3-6-10-14-19(21)20-15-11-7-5-9-13-17-22(20)23/h18-22H,3-17H2,1-2H3.
What are the key properties of 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane?
11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane has a molecular weight of 319.58 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-yl-11-azatricyclo[10.8.0.02,10]icosane is sourced from PubChem (CID 138727381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).