12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane

C17H27N — CID 129118439

IUPAC12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane
SMILESCC(C)N1CC23CC45CCCCC4(C2)CC3(C1)C5
InChIInChI=1S/C17H27N/c1-13(2)18-11-16-7-14-5-3-4-6-15(14,9-16)10-17(16,8-14)12-18/h13H,3-12H2,1-2H3
InChIKeyIXZYLXIBWNIDIK-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.83
Rot. Bonds1

About 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane

12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane (PubChem CID 129118439) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane.

Molecular Properties

Compound Name12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane
PubChem CID129118439
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane
SMILESCC(C)N1CC23CC45CCCCC4(C2)CC3(C1)C5
InChIInChI=1S/C17H27N/c1-13(2)18-11-16-7-14-5-3-4-6-15(14,9-16)10-17(16,8-14)12-18/h13H,3-12H2,1-2H3
InChIKeyIXZYLXIBWNIDIK-UHFFFAOYSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane?
The IUPAC name of 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane (CID 129118439) is 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane.
What is the SMILES notation for 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane?
The canonical SMILES for 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane is CC(C)N1CC23CC45CCCCC4(C2)CC3(C1)C5.
What is the InChIKey of 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane?
The InChIKey is IXZYLXIBWNIDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)18-11-16-7-14-5-3-4-6-15(14,9-16)10-17(16,8-14)12-18/h13H,3-12H2,1-2H3.
What are the key properties of 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane?
12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane has a molecular weight of 245.41 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-propan-2-yl-12-azapentacyclo[6.5.1.13,10.01,10.03,8]pentadecane is sourced from PubChem (CID 129118439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).