14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane

C17H33N — CID 15581289

IUPAC14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane
SMILESCC1(C)CC2CCCCCCCCCCC(C1)N2
InChIInChI=1S/C17H33N/c1-17(2)13-15-11-9-7-5-3-4-6-8-10-12-16(14-17)18-15/h15-16,18H,3-14H2,1-2H3
InChIKeyCQEJCFYKOXBZRO-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.05
Rot. Bonds

About 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane

14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane (PubChem CID 15581289) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane.

Molecular Properties

Compound Name14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane
PubChem CID15581289
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane
SMILESCC1(C)CC2CCCCCCCCCCC(C1)N2
InChIInChI=1S/C17H33N/c1-17(2)13-15-11-9-7-5-3-4-6-8-10-12-16(14-17)18-15/h15-16,18H,3-14H2,1-2H3
InChIKeyCQEJCFYKOXBZRO-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane?
The IUPAC name of 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane (CID 15581289) is 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane.
What is the SMILES notation for 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane?
The canonical SMILES for 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane is CC1(C)CC2CCCCCCCCCCC(C1)N2.
What is the InChIKey of 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane?
The InChIKey is CQEJCFYKOXBZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-17(2)13-15-11-9-7-5-3-4-6-8-10-12-16(14-17)18-15/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane?
14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane has a molecular weight of 251.46 g/mol, XLogP of 5.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-16-azabicyclo[10.3.1]hexadecane is sourced from PubChem (CID 15581289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).